benzyl (2S)-2-[[(4S)-3-hydroxy-5-(1H-indol-3-yl)-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxycarbonyl-propanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-methyl-butanoate
Molecular Formula:
C53H72N6O11
InChI: InChI=1/C53H72N6O11/c1-10-33(5)46(59-50(65)47(34(6)11-2)58-48(63)41(56-52(67)70-53(7,8)9)27-44(62)68-30-35-20-14-12-15-21-35)49(64)55-40(26-37-29-54-39-25-19-18-24-38(37)39)42(60)28-43(61)57-45(32(3)4)51(66)69-31-36-22-16-13-17-23-36/h12-25,29,32-34,40-42,45-47,54,60H,10-11,26-28,30-31H2,1-9H3,(H,55,64)(H,56,67)(H,57,61)(H,58,63)(H,59,65)/t33u,34u,40-,41+,42?,45-,46-,47-/m0/s1/f/h55-59H
InChIKey: InChIKey=ZXSKXHYRSYCOPM-VEVLYBAZDH
SMILES: CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(CC(=O)NC(C(C)C)C(=O)OCC3=CC=CC=C3)O)NC(=O)C(CC(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C
Names:
benzyl (2S)-2-[[(4S)-3-hydroxy-5-(1H-indol-3-yl)-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxycarbonyl-propanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-methyl-butanoate
Registries:
PubChem CID 10102424
PubChem ID 15089829
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