(4S)-4-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[2-[[(2S)-2-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(2S,3R)-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[2-[[(2S)-2-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(2S,3R)-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(1S,2R)-1-carbamoyl-2-hydroxy-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-4-hydroxy-1,4-dioxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-keto-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(1S,2R)-1-carbamoyl-2-hydroxy-propyl]amino]-5-keto-valeric acid Formula: C68H91N15O20 MolecularWeight: 1438.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)N)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC(=O)O)NC(=O)C

Isomeric SMILES

C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC(=O)O)NC(=O)C)O

InChI

InChI=1S/C68H91N15O20/c1-33(2)23-46(79-68(103)58(36(6)86)81-53(89)31-72-60(95)48(25-39-28-70-43-19-13-11-17-41(39)43)77-65(100)50(27-55(92)93)74-37(7)87)66(101)82-56(34(3)4)67(102)80-51(32-84)61(96)73-30-52(88)75-47(24-38-15-9-8-10-16-38)63(98)78-49(26-40-29-71-44-20-14-12-18-42(40)44)64(99)76-45(21-22-54(90)91)62(97)83-57(35(5)85)59(69)94/h8-20,28-29,33-36,45-51,56-58,70-71,84-86H,21-27,30-32H2,1-7H3,(H2,69,94)(H,72,95)(H,73,96)(H,74,87)(H,75,88)(H,76,99)(H,77,100)(H,78,98)(H,79,103)(H,80,102)(H,81,89)(H,82,101)(H,83,97)(H,90,91)(H,92,93)/t35-,36-,45+,46+,47+,48+,49+,50+,51+,56+,57+,58+/m1/s1