(3S)-3-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(1S)-2-[[(1S)-1-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(1S)-1-(4-hydroxybenzyl)-2-[[(1S)-1-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C33H52N6O11S MolecularWeight: 740.86458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)O)NC(=O)C(CCSC)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C33H52N6O11S/c1-17(2)12-22(35-28(44)21(34)10-11-51-5)29(45)38-25(15-27(42)43)32(48)37-24(14-19-6-8-20(41)9-7-19)31(47)36-23(13-18(3)4)30(46)39-26(16-40)33(49)50/h6-9,17-18,21-26,40-41H,10-16,34H2,1-5H3,(H,35,44)(H,36,47)(H,37,48)(H,38,45)(H,39,46)(H,42,43)(H,49,50)/t21-,22-,23-,24-,25-,26-/m0/s1