(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carbamoyl-butanoyl]amino]-4-carbamoyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-3-[[(1S)-1-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]-4-(diaminomethylideneamino)butyl]carbamoyl]propanoic acid
Molecular Formula:
C40H60N14O12S
InChI: InChI=1/C40H60N14O12S/c1-67-15-13-26(51-35(61)25(10-12-31(43)56)49-33(59)23(41)9-11-30(42)55)36(62)52-27(17-22-19-46-20-48-22)37(63)53-28(18-32(57)58)38(64)50-24(8-5-14-47-40(44)45)34(60)54-29(39(65)66)16-21-6-3-2-4-7-21/h2-4,6-7,19-20,23-29H,5,8-18,41H2,1H3,(H2,42,55)(H2,43,56)(H,46,48)(H,49,59)(H,50,64)(H,51,61)(H,52,62)(H,53,63)(H,54,60)(H,57,58)(H,65,66)(H4,44,45,47)/t23-,24-,25-,26-,27-,28-,29-/m0/s1/f/h48-54,57,65H,42-45H2
InChIKey: InChIKey=FQNYNALQLPVEKO-GRGQMGJSDP
SMILES: CSCCC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)N
Names:
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carbamoyl-butanoyl]amino]-4-carbamoyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-3-[[(1S)-1-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]-4-(diaminomethylideneamino)butyl]carbamoyl]propanoic acid
Registries:
PubChem CID 10306728
PubChem ID 15313371
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