5-[[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-[(2-azanyl-3-phenyl-propanoyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-[(2-azanyl-3-phenyl-propanoyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-[(2-amino-3-phenyl-propanoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[(2-amino-1-oxo-3-phenylpropyl)amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[(2-amino-3-phenylpropanoyl)amino]-5-oxopentanoic acid Traditional Name: 5-[[2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-4-(phenylalanylamino)valeric acid Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)N

InChI

InChI=1S/C25H29N5O5/c26-18(12-15-6-2-1-3-7-15)24(34)29-20(10-11-22(31)32)25(35)30-21(23(27)33)13-16-14-28-19-9-5-4-8-17(16)19/h1-9,14,18,20-21,28H,10-13,26H2,(H2,27,33)(H,29,34)(H,30,35)(H,31,32)