3-azanyl-4-[2-(2-azanylethanoyl)-3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-4-(2-piperidin-1-ylbutanoyl)indol-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[2-(2-azanylethanoyl)-3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-4-(2-piperidin-1-ylbutanoyl)indol-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[2-(2-aminoacetyl)-3-(2-amino-3-hydroxy-3-oxo-propyl)-4-[2-(1-piperidyl)butanoyl]indol-1-yl]-4-oxo-butanoic acid CAS Name: 3-amino-4-[3-(2-amino-3-hydroxy-3-oxopropyl)-2-(2-amino-1-oxoethyl)-4-[1-oxo-2-(1-piperidinyl)butyl]-1-indolyl]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[2-(2-aminoacetyl)-3-(2-amino-3-hydroxy-3-oxopropyl)-4-(2-piperidin-1-ylbutanoyl)indol-1-yl]-4-oxobutanoic acid Traditional Name: 3-amino-4-[3-(2-amino-3-hydroxy-3-keto-propyl)-2-glycyl-4-(2-piperidinobutanoyl)indol-1-yl]-4-keto-butyric acid Formula: C26H35N5O7 MolecularWeight: 529.5854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=C2C(=CC=C1)N(C(=C2CC(C(=O)O)N)C(=O)CN)C(=O)C(CC(=O)O)N)N3CCCCC3

Isomeric SMILES

CCC(C(=O)C1=C2C(=CC=C1)N(C(=C2CC(C(=O)O)N)C(=O)CN)C(=O)C(CC(=O)O)N)N3CCCCC3

InChI

InChI=1S/C26H35N5O7/c1-2-18(30-9-4-3-5-10-30)24(35)14-7-6-8-19-22(14)15(11-17(29)26(37)38)23(20(32)13-27)31(19)25(36)16(28)12-21(33)34/h6-8,16-18H,2-5,9-13,27-29H2,1H3,(H,33,34)(H,37,38)