(3S)-3-acetamido-4-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-acetamido-4-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-acetamido-4-[[(1S)-1-[(2S)-2-[[(1S)-3-hydroxy-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-acetamido-4-[[(2S)-1-[(2S)-2-[[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-acetamido-4-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-acetamido-4-[[(1S)-1-[(2S)-2-[[(1S)-3-hydroxy-1-[[(1S)-1-(4-hydroxybenzyl)-2-[[(1S)-2-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]carbamoyl]-3-keto-propyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C35H49N7O15 MolecularWeight: 807.80146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(C)C(=O)NC(CO)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C35H49N7O15/c1-16(2)28(41-32(53)22(13-26(46)47)37-18(4)44)34(55)42-11-5-6-25(42)33(54)39-23(14-27(48)49)31(52)38-21(12-19-7-9-20(45)10-8-19)30(51)36-17(3)29(50)40-24(15-43)35(56)57/h7-10,16-17,21-25,28,43,45H,5-6,11-15H2,1-4H3,(H,36,51)(H,37,44)(H,38,52)(H,39,54)(H,40,50)(H,41,53)(H,46,47)(H,48,49)(H,56,57)/t17-,21-,22-,23-,24-,25-,28-/m0/s1