(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid
Molecular Formula:
C45H68N10O13
InChI: InChI=1/C45H68N10O13/c1-24(2)35(51-34(58)21-46)41(63)48-28(20-27-12-7-6-8-13-27)43(65)54-18-10-15-32(54)38(60)49-29(22-56)37(59)47-26(5)42(64)53-17-9-14-31(53)39(61)50-30(23-57)44(66)55-19-11-16-33(55)40(62)52-36(25(3)4)45(67)68/h6-8,12-13,24-26,28-33,35-36,56-57H,9-11,14-23,46H2,1-5H3,(H,47,59)(H,48,63)(H,49,60)(H,50,61)(H,51,58)(H,52,62)(H,67,68)/t26-,28-,29-,30-,31-,32-,33-,35-,36-/m0/s1/f/h47-52,67H
InChIKey: InChIKey=HWIBEZIBYOSZLM-SUSDVMNZDQ
SMILES: CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NC(C)C(=O)N3CCCC3C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(C(C)C)C(=O)O)NC(=O)CN
Names:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid
Registries:
PubChem CID 11274606
PubChem ID 16360738
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