(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-morpholin-4-yl-4-oxidanylidene-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-morpholin-4-yl-4-oxidanylidene-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-morpholino-4-oxo-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]-4-(4-morpholinyl)-1,4-dioxobutyl]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-morpholin-4-yl-4-oxobutanoyl]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-morpholino-butanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C38H58N6O12 MolecularWeight: 790.90012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)N1CCOCC1)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)N1CCOCC1)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/C38H58N6O12/c1-8-23(6)32(42-37(53)33(22(4)5)43(7)29(46)18-24-9-11-25(45)12-10-24)36(52)40-26(19-30(47)44-13-15-56-16-14-44)34(50)39-27(20-31(48)49)35(51)41-28(38(54)55)17-21(2)3/h9-12,21-23,26-28,32-33,45H,8,13-20H2,1-7H3,(H,39,50)(H,40,52)(H,41,51)(H,42,53)(H,48,49)(H,54,55)/t23-,26?,27-,28-,32-,33-/m0/s1