4-[[1-[[6-amino-1-[2-[[1-carboxy-4-(diaminomethylideneamino)butyl]carbamoyl]pyrrolidin-1-yl]-1-oxo-hexan-2-yl]carbamoyl]-2-carbamoyl-ethyl]carbamoyl]-4-[[3-(4-hydroxyphenyl)-2-[[4-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]propanoyl]amino]butanoic acid
Molecular Formula:
C46H71N13O14
InChI: InChI=1/C46H71N13O14/c1-24(2)21-31(56-38(65)27-14-16-36(62)52-27)40(67)57-32(22-25-10-12-26(60)13-11-25)41(68)53-28(15-17-37(63)64)39(66)58-33(23-35(48)61)42(69)54-29(7-3-4-18-47)44(71)59-20-6-9-34(59)43(70)55-30(45(72)73)8-5-19-51-46(49)50/h10-13,24,27-34,60H,3-9,14-23,47H2,1-2H3,(H2,48,61)(H,52,62)(H,53,68)(H,54,69)(H,55,70)(H,56,65)(H,57,67)(H,58,66)(H,63,64)(H,72,73)(H4,49,50,51)/f/h52-58,63,72H,48-50H2
InChIKey: InChIKey=ZJPYPJIAUOEHJV-FOCZHFLDCZ
SMILES: CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C3CCC(=O)N3
Names:
4-[[1-[[6-amino-1-[2-[[1-carboxy-4-(diaminomethylideneamino)butyl]carbamoyl]pyrrolidin-1-yl]-1-oxo-hexan-2-yl]carbamoyl]-2-carbamoyl-ethyl]carbamoyl]-4-[[3-(4-hydroxyphenyl)-2-[[4-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]propanoyl]amino]butanoic acid
Registries:
PubChem CID 4114215
PubChem ID 6041104
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