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Asn-Ile-Phe

PropertiesImage
MNX_IDMNXM1122467 Image of MNXM1122467
referencechebi:159860
formulaC19H28N4O5
global charge0
mol weight392.456
InChIKeyXLZCLJRGGMBKLR-PCBIJLKTSA-N
InChIInChI=1S/C19H28N4O5/c1-3-11(2)16(23-17(25)13(20)10-15(21)24)18(26)22-14(19(27)28)9-12-7-5-4-6-8-12/h4-8,11,13-14,16H,3,9-10,20H2,1-2H3,(H2,21,24)(H,22,26)(H,23,25)(H,27,28)/t11-,13-,14-,16-/m0/s1
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C19H28N4O5/c1-3-11(2)16(23-17(25)13(20)10-15(21)24)18(26)22-14(19(27)28)9-12-7-5-4-6-8-12/h4-8,11,13-14,16H,3,9-10,20H2,1-2H3,(H2,21,24)(H,22,26)(H,23,25)(H,27,28)/t11-,13-,14-,16-/m0/s1 Image of MNXM1122467
SMILES (mnx)[CH3:1][CH2:3][C@H:11]([CH3:2])[C@@H:16]([C:18](=[N:22][C@@H:14]([CH2:9][C:12]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[C:19](=[O:27])[OH:28])[OH:26])[N:23]=[C:17]([C@H:13]([CH2:10][C:15](=[NH:21])[OH:24])[NH2:20])[OH:25]
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:159860
chebi:159860
XLZCLJRGGMBKLR-PCBIJLKTSA-N
Asn-Ile-Phe
(2S)-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoic acid