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

Systemtic Name: (2S)-2-[[(2S)-2-[[4-(ethylamino)-2-[[(2S,3S)-2-[[(2S)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[4-(ethylamino)-2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]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-(ethylamino)-2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)-1-oxoethyl]amino]-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-(ethylamino)-2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[4-(ethylamino)-2-[[(2S,3S)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C35H54N6O11 MolecularWeight: 734.83686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)NCC)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(C(C)C)NC(=O)CC1=CC=C(C=C1)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC(CC(=O)NCC)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)NC(=O)CC1=CC=C(C=C1)O

InChI

InChI=1S/C35H54N6O11/c1-8-20(7)30(41-33(49)29(19(5)6)40-27(44)15-21-10-12-22(42)13-11-21)34(50)38-23(16-26(43)36-9-2)31(47)37-24(17-28(45)46)32(48)39-25(35(51)52)14-18(3)4/h10-13,18-20,23-25,29-30,42H,8-9,14-17H2,1-7H3,(H,36,43)(H,37,47)(H,38,50)(H,39,48)(H,40,44)(H,41,49)(H,45,46)(H,51,52)/t20-,23?,24-,25-,29-,30-/m0/s1