(2S)-2-[[(2S)-2-[[4-(diethylamino)-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-(diethylamino)-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-(diethylamino)-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-(diethylamino)-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-(diethylamino)-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-(diethylamino)-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: C37H58N6O11 MolecularWeight: 762.89002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)N(CC)CC)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)N(CC)CC)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/C37H58N6O11/c1-9-22(8)32(42-35(51)31(21(6)7)41-28(45)17-23-12-14-24(44)15-13-23)36(52)39-25(18-29(46)43(10-2)11-3)33(49)38-26(19-30(47)48)34(50)40-27(37(53)54)16-20(4)5/h12-15,20-22,25-27,31-32,44H,9-11,16-19H2,1-8H3,(H,38,49)(H,39,52)(H,40,50)(H,41,45)(H,42,51)(H,47,48)(H,53,54)/t22-,25?,26-,27-,31-,32-/m0/s1