(3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-[2-[carboxymethyl(2-ethylsulfanylethyl)amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-[2-[carboxymethyl(2-ethylsulfanylethyl)amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[carboxymethyl(2-ethylsulfanylethyl)amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[carboxymethyl-[2-(ethylthio)ethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[carboxymethyl(2-ethylsulfanylethyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[carboxymethyl-[2-(ethylthio)ethyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-4-keto-butyric acid Formula: C61H82N10O13S MolecularWeight: 1195.42798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN(CCSCC)CC(=O)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)CN(CCSCC)CC(=O)O

InChI

InChI=1S/C61H82N10O13S/c1-8-36(6)53(59(81)68-49(61(83)84)29-40-32-63-44-23-17-15-21-42(40)44)70-60(82)54(37(7)9-2)69-58(80)48(30-51(73)74)67-55(77)45(26-35(4)5)65-57(79)47(28-39-31-62-43-22-16-14-20-41(39)43)66-56(78)46(27-38-18-12-11-13-19-38)64-50(72)33-71(34-52(75)76)24-25-85-10-3/h11-23,31-32,35-37,45-49,53-54,62-63H,8-10,24-30,33-34H2,1-7H3,(H,64,72)(H,65,79)(H,66,78)(H,67,77)(H,68,81)(H,69,80)(H,70,82)(H,73,74)(H,75,76)(H,83,84)/t36-,37-,45-,46-,47+,48-,49-,53-,54-/m0/s1