3-[2-[[5-[bis(azanyl)methylideneamino]-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]ethanoylamino]-4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2-[[5-[bis(azanyl)methylideneamino]-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]ethanoylamino]-4-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[[5-guanidino-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]acetyl]amino]-4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[5-(diaminomethylideneamino)-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]pentyl]amino]-1-oxoethyl]amino]-4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[[5-(diaminomethylideneamino)-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]acetyl]amino]-4-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[[5-guanidino-2-(prolylamino)pentanoyl]amino]acetyl]amino]-4-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C28H39N9O8 MolecularWeight: 629.66476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CC(NC1)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C28H39N9O8/c29-28(30)32-10-4-8-19(36-25(42)18-7-3-9-31-18)24(41)34-14-22(38)35-20(12-23(39)40)26(43)37-21(27(44)45)11-15-13-33-17-6-2-1-5-16(15)17/h1-2,5-6,13,18-21,31,33H,3-4,7-12,14H2,(H,34,41)(H,35,38)(H,36,42)(H,37,43)(H,39,40)(H,44,45)(H4,29,30,32)