(4S)-4-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]acetyl]amino]-3-carboxy-propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]acetyl]amino]-4-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-carboxy-2-hydroxy-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]carbamoyl]butanoic acid
Molecular Formula:
C41H66N12O17
InChI: InChI=1/C41H66N12O17/c1-7-18(3)31(42)38(66)45-15-28(57)49-25(12-30(60)61)37(65)52-32(19(4)8-2)39(67)47-20(5)34(62)44-14-27(56)48-23(9-10-29(58)59)35(63)50-24(11-22-13-43-17-46-22)36(64)53-33(21(6)55)40(68)51-26(16-54)41(69)70/h13,17-21,23-26,31-33,54-55H,7-12,14-16,42H2,1-6H3,(H,43,46)(H,44,62)(H,45,66)(H,47,67)(H,48,56)(H,49,57)(H,50,63)(H,51,68)(H,52,65)(H,53,64)(H,58,59)(H,60,61)(H,69,70)/t18-,19-,20-,21+,23-,24-,25-,26-,31-,32-,33-/m0/s1/f/h44-53,58,60,69H
InChIKey: InChIKey=QDKVNUFWTMILBN-SHKCYGLVDD
SMILES: CCC(C)C(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)O)N
Names:
(4S)-4-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]acetyl]amino]-3-carboxy-propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]acetyl]amino]-4-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-carboxy-2-hydroxy-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]carbamoyl]butanoic acid
Registries:
PubChem CID 10197459
PubChem ID 15193783
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