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L-685,458

PropertiesImage
MNX_IDMNXM157017 Image of MNXM157017
referencechebi:74921
formulaC39H52N4O6
global charge0
mol weight672.867
InChIKeyMURCDOXDAHPNRQ-ZJKZPDEISA-N
InChIInChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34-/m1/s1
SMILESCC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
MNX internals
InChI (mnx)InChI=1/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34-/m1/s1 Image of MNXM157017
SMILES (mnx)[CH3:1][CH:26]([CH3:2])[CH2:21][C@@H:33]([C:37](=[N:41][C@@H:32]([CH2:24][C:29]1=[CH:19][CH:13]=[CH:8][CH:14]=[CH:20]1)[C:35](=[NH:40])[OH:45])[OH:47])[N:42]=[C:36]([C@H:30]([CH2:22][C:27]1=[CH:15][CH:9]=[CH:6][CH:10]=[CH:16]1)[CH2:25][C@H:34]([C@H:31]([CH2:23][C:28]1=[CH:17][CH:11]=[CH:7][CH:12]=[CH:18]1)[N:43]=[C:38]([OH:48])[O:49][C:39]([CH3:3])([CH3:4])[CH3:5])[OH:44])[OH:46]
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:74921
chebi:74921
MURCDOXDAHPNRQ-ZJKZPDEISA-N 		L-685,458
(1S,2R,4R)-{1-benzyl-4-[1-(1S)-carbamoyl-(2-phenylethylcarbamoyl)-(1S)-3-methylbutylcarbamoyl]-2-hydroxy-5-phenylpentyl}carbamic acid tert-butyl ester
(5S)-[tert-butoxycarbonylamino-6-phenyl-(4R)-hydroxy-(2R)-benzylhexanoyl]-L-Leu-L-Phe-NH2
L-685458
N-{(2R,4R,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-leucyl-L-phenylalaninamide
{(1S)-benzyl-(4R)-[1-((1S)-carbamoyl-2-phenyl-ethylcarbamoyl)-(1S)-3-methyl-butyl-carbamoyl]-(2R)-hydroxy-5-phenyl-pentyl} carbamic acid tert-butyl ester
{1(S)-benzyl-4(R)-[1-(1(S)-carbamoyl-2-phenylethylcarbamoyl)-1(S)-3-methyl-butylcarbamoyl]-2(R)-hydroxy-5-phenylpentyl}carbamic acid tert-butyl ester