(4S)-4-[[(2S)-6-azanyl-2-[2-[[(2R)-4-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]hexanoyl]amino]-5-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-6-azanyl-2-[2-[[(2R)-4-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]hexanoyl]amino]-5-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-6-amino-2-[[2-[[(2R)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]hexanoyl]amino]-5-[[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-6-amino-2-[[2-[[(2R)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-5-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-6-amino-2-[[2-[[(2R)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]hexanoyl]amino]-5-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-6-amino-2-[[2-[[(2R)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]hexanoyl]amino]-5-[[(1S)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C43H60N10O12 MolecularWeight: 908.9963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N

InChI

InChI=1S/C43H60N10O12/c1-23(2)17-32(51-38(59)28(45)19-25-21-47-29-8-4-3-7-27(25)29)42(63)52-33(20-35(46)55)39(60)48-22-36(56)49-30(9-5-6-16-44)40(61)50-31(14-15-37(57)58)41(62)53-34(43(64)65)18-24-10-12-26(54)13-11-24/h3-4,7-8,10-13,21,23,28,30-34,47,54H,5-6,9,14-20,22,44-45H2,1-2H3,(H2,46,55)(H,48,60)(H,49,56)(H,50,61)(H,51,59)(H,52,63)(H,53,62)(H,57,58)(H,64,65)/t28-,30-,31-,32-,33+,34-/m0/s1