(3S)-4-[[(2R)-3-[[(2R)-2-[[(2S)-2-acetamido-6-azanyl-hexanoyl]amino]-3-azanyl-3-oxidanylidene-propyl]disulfanyl]-1-[[(2R)-3-(acetamidomethylsulfanyl)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2R)-3-[[(2R)-2-[[(2S)-2-acetamido-6-azanyl-hexanoyl]amino]-3-azanyl-3-oxidanylidene-propyl]disulfanyl]-1-[[(2R)-3-(acetamidomethylsulfanyl)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1R)-1-[[[(2R)-2-[[(2S)-2-acetamido-6-amino-hexanoyl]amino]-3-amino-3-oxo-propyl]disulfanyl]methyl]-2-[[(1R)-1-(acetamidomethylsulfanylmethyl)-2-amino-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-3-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2R)-3-[[(2R)-2-[[(2S)-2-acetamido-6-amino-1-oxohexyl]amino]-3-amino-3-oxopropyl]disulfanyl]-1-[[(2R)-3-(acetamidomethylthio)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2R)-3-[[(2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-3-amino-3-oxopropyl]disulfanyl]-1-[[(2R)-3-(acetamidomethylsulfanyl)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1R)-1-[[[(2R)-2-[[(2S)-2-acetamido-6-amino-hexanoyl]amino]-3-amino-3-keto-propyl]disulfanyl]methyl]-2-[[(1R)-1-[(acetamidomethylthio)methyl]-2-amino-2-keto-ethyl]amino]-2-keto-ethyl]amino]-3-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-keto-butyric acid Formula: C35H54N10O12S3 MolecularWeight: 903.05806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCC(C(=O)N)NC(=O)C(CSSCC(C(=O)N)NC(=O)C(CCCCN)NC(=O)C)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C

Isomeric SMILES

CC(=O)NCSC[C@@H](C(=O)N)NC(=O)[C@H](CSSC[C@@H](C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C

InChI

InChI=1S/C35H54N10O12S3/c1-18(46)39-17-58-14-26(30(37)52)43-35(57)28(16-60-59-15-27(31(38)53)44-32(54)23(40-19(2)47)6-4-5-11-36)45-34(56)25(13-29(50)51)42-33(55)24(41-20(3)48)12-21-7-9-22(49)10-8-21/h7-10,23-28,49H,4-6,11-17,36H2,1-3H3,(H2,37,52)(H2,38,53)(H,39,46)(H,40,47)(H,41,48)(H,42,55)(H,43,57)(H,44,54)(H,45,56)(H,50,51)/t23-,24-,25-,26-,27-,28-/m0/s1