(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-(3-phenylpropoxy)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-(3-phenylpropoxy)butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-4-hydroxy-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxo-4-(3-phenylpropoxy)butanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-4-hydroxy-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)-1-oxoethyl]-methylamino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-1,4-dioxo-4-(3-phenylpropoxy)butyl]amino]-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-4-hydroxy-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]-methylamino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-oxo-4-(3-phenylpropoxy)butanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-4-hydroxy-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-keto-4-(3-phenylpropoxy)butanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C43H61N5O12 MolecularWeight: 839.97074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)OCCCC1=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)OCCCC1=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/C43H61N5O12/c1-8-27(6)37(47-42(57)38(26(4)5)48(7)34(50)22-29-16-18-30(49)19-17-29)41(56)45-32(24-36(53)60-20-12-15-28-13-10-9-11-14-28)40(55)44-31(23-35(51)52)39(54)46-33(43(58)59)21-25(2)3/h9-11,13-14,16-19,25-27,31-33,37-38,49H,8,12,15,20-24H2,1-7H3,(H,44,55)(H,45,56)(H,46,54)(H,47,57)(H,51,52)(H,58,59)/t27-,31-,32?,33-,37-,38-/m0/s1