(3S)-3-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(1S)-2-[[2-[[(1S)-1-[[(1S,2R)-2-hydroxy-1-[[2-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]propyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(1S)-2-[[2-[[(1S)-1-[[(1S,2R)-2-hydroxy-1-[[2-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]carbamoyl]propyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-4-keto-butyric acid Formula: C40H60N10O15 MolecularWeight: 920.9624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N)O

InChI

InChI=1S/C40H60N10O15/c1-18(2)10-25(46-34(58)23(41)11-21-13-42-24-9-7-6-8-22(21)24)36(60)47-26(12-31(56)57)37(61)48-27(16-51)35(59)43-15-30(55)49-32(19(3)4)39(63)50-33(20(5)53)38(62)44-14-29(54)45-28(17-52)40(64)65/h6-9,13,18-20,23,25-28,32-33,42,51-53H,10-12,14-17,41H2,1-5H3,(H,43,59)(H,44,62)(H,45,54)(H,46,58)(H,47,60)(H,48,61)(H,49,55)(H,50,63)(H,56,57)(H,64,65)/t20-,23+,25+,26+,27+,28+,32+,33+/m1/s1