(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[2-(4-hydroxyphenyl)ethanoyl-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-4-phenylazanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[2-(4-hydroxyphenyl)ethanoyl-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-4-phenylazanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[4-anilino-2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[4-anilino-2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)-1-oxoethyl]-methylamino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[4-anilino-2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]-methylamino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[4-anilino-2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C40H56N6O11 MolecularWeight: 796.90624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)NC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(C(C)C)N(C)C(=O)CC2=CC=C(C=C2)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC(CC(=O)NC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](C(C)C)N(C)C(=O)CC2=CC=C(C=C2)O

InChI

InChI=1S/C40H56N6O11/c1-8-24(6)34(45-39(55)35(23(4)5)46(7)32(49)19-25-14-16-27(47)17-15-25)38(54)43-28(20-31(48)41-26-12-10-9-11-13-26)36(52)42-29(21-33(50)51)37(53)44-30(40(56)57)18-22(2)3/h9-17,22-24,28-30,34-35,47H,8,18-21H2,1-7H3,(H,41,48)(H,42,52)(H,43,54)(H,44,53)(H,45,55)(H,50,51)(H,56,57)/t24-,28?,29-,30-,34-,35-/m0/s1