N-(6-azanyl-1-oxidanylidene-hexan-2-yl)-2-[[2-(2-azanylpropanoylamino)-3-oxidanyl-propanoyl]-methyl-amino]-3-(4-hydroxyphenyl)propanamide

Systemtic Name: N-(6-azanyl-1-oxidanylidene-hexan-2-yl)-2-[[2-(2-azanylpropanoylamino)-3-oxidanyl-propanoyl]-methyl-amino]-3-(4-hydroxyphenyl)propanamide Openeye Name: N-(5-amino-1-formyl-pentyl)-2-[[2-(2-aminopropanoylamino)-3-hydroxy-propanoyl]-methyl-amino]-3-(4-hydroxyphenyl)propanamide CAS Name: N-(6-amino-1-oxohexan-2-yl)-2-[[2-[(2-amino-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]-methylamino]-3-(4-hydroxyphenyl)propanamide IUPAC Name: N-(6-amino-1-oxohexan-2-yl)-2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]-methylamino]-3-(4-hydroxyphenyl)propanamide Traditional Name: 2-[[2-(alanylamino)-3-hydroxy-propanoyl]-methyl-amino]-N-(5-amino-1-formyl-pentyl)-3-(4-hydroxyphenyl)propionamide Formula: C22H35N5O6 MolecularWeight: 465.5432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CO)C(=O)N(C)C(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C=O)N

Isomeric SMILES

CC(C(=O)NC(CO)C(=O)N(C)C(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C=O)N

InChI

InChI=1S/C22H35N5O6/c1-14(24)20(31)26-18(13-29)22(33)27(2)19(11-15-6-8-17(30)9-7-15)21(32)25-16(12-28)5-3-4-10-23/h6-9,12,14,16,18-19,29-30H,3-5,10-11,13,23-24H2,1-2H3,(H,25,32)(H,26,31)