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

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(1S)-3-hydroxy-1-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(1S)-3-hydroxy-1-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]carbamoyl]-3-keto-propyl]amino]-4-keto-butyric acid Formula: C25H32N6O11 MolecularWeight: 592.55518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N6O11/c1-11(26)21(37)28-15(6-12-9-27-14-5-3-2-4-13(12)14)22(38)29-16(7-19(33)34)23(39)30-17(8-20(35)36)24(40)31-18(10-32)25(41)42/h2-5,9,11,15-18,27,32H,6-8,10,26H2,1H3,(H,28,37)(H,29,38)(H,30,39)(H,31,40)(H,33,34)(H,35,36)(H,41,42)/t11-,15-,16-,17-,18-/m0/s1