(3S)-3-(2-azanylethanoylamino)-4-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]am

Systemtic Name: (3S)-3-(2-azanylethanoylamino)-4-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]am Openeye Name: (3S)-3-[(2-aminoacetyl)amino]-4-[[2-[[(1S)-2-[[(1S)-3-hydroxy-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-3-hydroxy-1-[[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[(2-amino-1-oxoethyl)amino]-4-[[2-[[(2S)-3-hydroxy-1-[[(2S)-4-hydroxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-hydroxy-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[(2-aminoacetyl)amino]-4-[[2-[[(2S)-3-hydroxy-1-[[(2S)-4-hydroxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-hydroxy-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-(glycylamino)-4-[[2-[[(1S)-2-[[(1S)-3-hydroxy-1-[[(1S)-1-(4-hydroxybenzyl)-2-[[(1S)-1-(4-hydroxybenzyl)-2-[[(1S)-2-[[(1S)-1-[[(1S)-3-hydroxy-1-[[(1S)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-3-keto-propyl]carbamoyl]-3-(methylthio)propyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-3-keto-propyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C54H69N11O22S MolecularWeight: 1256.25116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)CN

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CN

InChI

InChI=1S/C54H69N11O22S/c1-26(46(78)60-33(15-16-88-2)48(80)63-38(22-45(76)77)52(84)65-39(54(86)87)19-29-7-13-32(69)14-8-29)57-49(81)34(17-27-3-9-30(67)10-4-27)61-50(82)35(18-28-5-11-31(68)12-6-28)62-51(83)37(21-44(74)75)64-53(85)40(25-66)59-42(71)24-56-47(79)36(20-43(72)73)58-41(70)23-55/h3-14,26,33-40,66-69H,15-25,55H2,1-2H3,(H,56,79)(H,57,81)(H,58,70)(H,59,71)(H,60,78)(H,61,82)(H,62,83)(H,63,80)(H,64,85)(H,65,84)(H,72,73)(H,74,75)(H,76,77)(H,86,87)/t26-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1