(4S)-4-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2R)-2-[[(2S)-2-azanylpropanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-4-azanyl-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2R)-2-[[(2S)-2-azanylpropanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-4-azanyl-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-mercapto-propanoyl]amino]-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-5-[[(1S)-3-amino-1-[[(1S)-1-(4-hydroxybenzyl)-2-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]carbamoyl]-3-keto-propyl]amino]-5-keto-valeric acid Formula: C35H50N10O16S MolecularWeight: 898.8939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CS)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C)C(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)O)N

InChI

InChI=1S/C35H50N10O16S/c1-14(36)28(53)45-23(13-62)34(59)43-21(11-25(38)48)32(57)44-22(12-27(51)52)33(58)40-18(7-8-26(49)50)29(54)42-20(10-24(37)47)31(56)41-19(30(55)39-15(2)35(60)61)9-16-3-5-17(46)6-4-16/h3-6,14-15,18-23,46,62H,7-13,36H2,1-2H3,(H2,37,47)(H2,38,48)(H,39,55)(H,40,58)(H,41,56)(H,42,54)(H,43,59)(H,44,57)(H,45,53)(H,49,50)(H,51,52)(H,60,61)/t14-,15-,18-,19-,20-,21-,22-,23-/m0/s1