(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonyl-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]amino]-4-azanyl-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonyl-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]amino]-4-azanyl-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]amino]-4-amino-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-acetamido-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxo-3-phenylpropyl]-methylamino]-1-oxo-3-phenylpropyl]amino]-4-amino-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]amino]-4-amino-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-4-methyl-pentanoyl]prolyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]amino]-4-amino-4-keto-butyric acid Formula: C37H50N6O8 MolecularWeight: 706.8283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)N(C)C(CC2=CC=CC=C2)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)NC(CC(=O)O)C(=O)N)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N(C)[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)O)C(=O)N)NC(=O)C

InChI

InChI=1S/C37H50N6O8/c1-23(2)19-28(39-24(3)44)35(49)43-18-12-17-29(43)36(50)42(5)31(21-26-15-10-7-11-16-26)37(51)41(4)30(20-25-13-8-6-9-14-25)34(48)40-27(33(38)47)22-32(45)46/h6-11,13-16,23,27-31H,12,17-22H2,1-5H3,(H2,38,47)(H,39,44)(H,40,48)(H,45,46)/t27-,28-,29-,30-,31-/m0/s1