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(2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]-2-pyrrolidinecarboxamide

PropertiesImage
MNX_IDMNXM731598 Image of MNXM731598
referencechebi:94802
formulaC46H65N13O12S2
global charge0
mol weight1056.239
InChIKeyBJFIDCADFRDPIO-DZCXQCEKSA-N
InChIInChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
SMILESNCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
MNX internals
InChI (mnx)InChI=1/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 Image of MNXM731598
SMILES (mnx)[CH:1]1=[CH:2][CH:7]=[C:25]([CH2:19][C@H:32]2[C:42]([OH:67])=[N:53][C@@H:30]([CH2:15][CH2:16][C:36](=[NH:49])[OH:61])[C:41]([OH:66])=[N:57][C@@H:33]([CH2:21][C:37](=[NH:50])[OH:62])[C:44]([OH:69])=[N:58][C@H:34]([C:46]([N:59]3[CH2:18][CH2:6][CH2:10][C@H:35]3[C:45](=[N:54][C@@H:29]([CH2:9][CH2:4][CH2:5][CH2:17][NH2:47])[C:40](=[N:52][CH2:22][C:38](=[NH:51])[OH:63])[OH:65])[OH:70])=[O:71])[CH2:24][S:73][S:72][CH2:23][C@H:28]([NH2:48])[C:39]([OH:64])=[N:55][C@@H:31]([CH2:20][C:26]3=[CH:12][CH:14]=[C:27]([OH:60])[CH:13]=[CH:11]3)[C:43]([OH:68])=[N:56]2)[CH:8]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:94802
chebi:94802
BJFIDCADFRDPIO-DZCXQCEKSA-N 		(2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]-2-pyrrolidinecarboxamide
lysine pitressin
lysine vasopressin
lysipressin
lysopressin
lysylvasopressin
syntopressin
hmdb:HMDB0243651
BJFIDCADFRDPIO-UHFFFAOYSA-N 		(Lys8)-Vasopressin
6-amino-2-({1-[19-amino-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl}formamido)-N-(carbamoylmethyl)hexanamide
8 Lysine vasopressin
8-L-Lysine vasopressin
8-Lysine vasopressin
Diapid
LVP
Lypressin
Lys vasopressin
Lys-vasopressin
Lysine vasopressin
Lysyl vasopressin
Postacton
Vasopressin, 8-lysine
Vasopressin, lysine
Vasopressin, lysyl

kegg.drug:D00366
keggD:D00366
BJFIDCADFRDPIO-UHFFFAOYSA-N 		Lypressin (USAN/INN)
Diapid (TN)

CHEBI:6603
chebi:6603
BJFIDCADFRDPIO-UHFFFAOYSA-N 		Lypressin
8-L-Lysine vasopressin
DIAPID (TN)
LVP

seed.compound:cpd12991
seedM:cpd12991
BJFIDCADFRDPIO-UHFFFAOYSA-P 		Lypressin
8-L-Lysine vasopressin
LVP
Lys-vasopressin

kegg.compound:C07105
keggC:C07105
BJFIDCADFRDPIO-UHFFFAOYSA-N 		Lys-vasopressin
8-L-Lysine vasopressin
LVP
Lypressin
hmdb:HMDB0001980
BJFIDCADFRDPIO-ZCCHBGLBSA-N 		Vasopressin
3-(Phenylalanine)-8-lysine oxytocin
6-amino-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)hexanamide
8 Lysine vasopressin
8-L-Lysine vasopressin
8-Lysine vasopressin
ADH
Antidiuretic hormone
Diapid
Lypressin
Lys vasopressin
Lys-vasopressin
Lysine vasopressin
Lysyl vasopressin
Pitressin
Pitressin tannate
Postacton
Pressyn
Vasopressin, 8-lysine
Vasopressin, lysine
Vasopressin, lysyl

hmdb:HMDB0002781
hmdb:HMDB01980
hmdb:HMDB02781
keggC:M_C07105
keggD:M_D00366
seedM:M_cpd12991 		secondary/obsolete/fantasy identifier