(4S)-4-[[(1S,2R)-1-[[(1S)-1-[[[3-[2-(benzylamino)propanoyl]oxirane-2-carbonyl]amino]carbamoyl]-2-carboxy-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-[[(2S,3S)-3-methyl-2-phenylmethoxycarbonylamino-pentanoyl]amino]butanoic acid
Molecular Formula:
C40H53N7O14
InChI: InChI=1/C40H53N7O14/c1-5-21(2)30(45-40(59)60-20-25-14-10-7-11-15-25)37(56)42-26(16-17-28(49)50)35(54)44-31(23(4)48)38(57)43-27(18-29(51)52)36(55)46-47-39(58)34-33(61-34)32(53)22(3)41-19-24-12-8-6-9-13-24/h6-15,21-23,26-27,30-31,33-34,41,48H,5,16-20H2,1-4H3,(H,42,56)(H,43,57)(H,44,54)(H,45,59)(H,46,55)(H,47,58)(H,49,50)(H,51,52)/t21-,22u,23+,26-,27-,30-,31-,33u,34u/m0/s1/f/h42-47,49,51H
InChIKey: InChIKey=DODUCRKFGTVSCP-UJJSYMDUDG
SMILES: CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NNC(=O)C1C(O1)C(=O)C(C)NCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
Names:
(4S)-4-[[(1S,2R)-1-[[(1S)-1-[[[3-[2-(benzylamino)propanoyl]oxirane-2-carbonyl]amino]carbamoyl]-2-carboxy-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-[[(2S,3S)-3-methyl-2-phenylmethoxycarbonylamino-pentanoyl]amino]butanoic acid
Registries:
PubChem CID 10373381
PubChem ID 15386945
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