(3S)-3-azanyl-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[(1S)-3-hydroxy-1-[[(1S)-2-[[(1S)-3-hydroxy-1-[[(1S)-2-[[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(2S)-4-hydroxy-1-[[(2S)-1-[[(2S)-4-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(2S)-4-hydroxy-1-[[(2S)-1-[[(2S)-4-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[(1S)-3-hydroxy-1-[[(1S)-2-[[(1S)-3-hydroxy-1-[[(1S)-2-[[(1S)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-3-keto-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-3-keto-propyl]amino]-4-keto-butyric acid Formula: C43H46N8O14 MolecularWeight: 898.87054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C43H46N8O14/c44-27(16-35(53)54)38(59)47-32(17-36(55)56)41(62)48-30(14-22-19-45-28-7-3-1-5-25(22)28)39(60)50-33(18-37(57)58)42(63)49-31(15-23-20-46-29-8-4-2-6-26(23)29)40(61)51-34(43(64)65)13-21-9-11-24(52)12-10-21/h1-12,19-20,27,30-34,45-46,52H,13-18,44H2,(H,47,59)(H,48,62)(H,49,63)(H,50,60)(H,51,61)(H,53,54)(H,55,56)(H,57,58)(H,64,65)/t27-,30-,31-,32-,33-,34-/m0/s1