3-azanyl-4-[2-(2-azanylethanoyl)-3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-4-(4-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-(4-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-[4-(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-4-(1-piperidinyl)butyl]-1-indolyl]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[2-(2-aminoacetyl)-3-(2-amino-3-hydroxy-3-oxopropyl)-4-(4-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-(4-piperidinobutanoyl)indol-1-yl]-4-keto-butyric acid Formula: C26H35N5O7 MolecularWeight: 529.5854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC(=O)C2=C3C(=CC=C2)N(C(=C3CC(C(=O)O)N)C(=O)CN)C(=O)C(CC(=O)O)N

Isomeric SMILES

C1CCN(CC1)CCCC(=O)C2=C3C(=CC=C2)N(C(=C3CC(C(=O)O)N)C(=O)CN)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C26H35N5O7/c27-14-21(33)24-16(12-18(29)26(37)38)23-15(20(32)8-5-11-30-9-2-1-3-10-30)6-4-7-19(23)31(24)25(36)17(28)13-22(34)35/h4,6-7,17-18H,1-3,5,8-14,27-29H2,(H,34,35)(H,37,38)