4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-3-[2-[[3-oxidanyl-2-[[3-oxidanyl-2-(pyrrolidin-2-ylcarbonylamino)propanoyl]amino]butanoyl]amino]ethanoylamino]butanoic acid

Systemtic Name: 4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-3-[2-[[3-oxidanyl-2-[[3-oxidanyl-2-(pyrrolidin-2-ylcarbonylamino)propanoyl]amino]butanoyl]amino]ethanoylamino]butanoic acid Openeye Name: 3-[[2-[[3-hydroxy-2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanoyl]amino]acetyl]amino]-4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[3-hydroxy-2-[[3-hydroxy-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]propyl]amino]-1-oxobutyl]amino]-1-oxoethyl]amino]-4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[[3-hydroxy-2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanoyl]amino]acetyl]amino]-4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[[3-hydroxy-2-[[3-hydroxy-2-(prolylamino)propanoyl]amino]butanoyl]amino]acetyl]amino]-4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C29H39N7O11 MolecularWeight: 661.66026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CO)NC(=O)C3CCCN3)O

Isomeric SMILES

CC(C(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CO)NC(=O)C3CCCN3)O

InChI

InChI=1S/C29H39N7O11/c1-14(38)24(36-27(44)21(13-37)35-25(42)18-7-4-8-30-18)28(45)32-12-22(39)33-19(10-23(40)41)26(43)34-20(29(46)47)9-15-11-31-17-6-3-2-5-16(15)17/h2-3,5-6,11,14,18-21,24,30-31,37-38H,4,7-10,12-13H2,1H3,(H,32,45)(H,33,39)(H,34,43)(H,35,42)(H,36,44)(H,40,41)(H,46,47)