(4S)-4-[[(1S)-5-amino-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]carbamoylmethylcarbamoyl]pentyl]carbamoylmethylcarbamoyl]-4-[[(2R)-3-carboxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]butanoic acid
Molecular Formula:
C33H56N12O14
InChI: InChI=1/C33H56N12O14/c34-10-2-1-5-18(27(53)39-15-24(48)42-20(32(58)59)7-4-12-38-33(35)36)41-23(47)14-40-28(54)19(8-9-25(49)50)43-30(56)21(13-26(51)52)44-31(57)22(16-46)45-29(55)17-6-3-11-37-17/h17-22,37,46H,1-16,34H2,(H,39,53)(H,40,54)(H,41,47)(H,42,48)(H,43,56)(H,44,57)(H,45,55)(H,49,50)(H,51,52)(H,58,59)(H4,35,36,38)/t17-,18-,19-,20-,21+,22-/m0/s1/f/h39-45,49,51,58H,35-36H2
InChIKey: InChIKey=CLJSKVQOUJDEAD-JZKHDRSHDC
SMILES: C1CC(NC1)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O
Names:
(4S)-4-[[(1S)-5-amino-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]carbamoylmethylcarbamoyl]pentyl]carbamoylmethylcarbamoyl]-4-[[(2R)-3-carboxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]butanoic acid
Registries:
PubChem CID 9919028
PubChem ID 14889484
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