2-acetamido-N-[(2S,4S,5S,7R)-4-azanyl-7-(butylcarbamoyl)-8-methyl-5-oxidanyl-2-propan-2-yl-nonyl]benzamide

Systemtic Name: 2-acetamido-N-[(2S,4S,5S,7R)-4-azanyl-7-(butylcarbamoyl)-8-methyl-5-oxidanyl-2-propan-2-yl-nonyl]benzamide Openeye Name: 2-acetamido-N-[(2S,4S,5S,7R)-4-amino-7-(butylcarbamoyl)-5-hydroxy-2-isopropyl-8-methyl-nonyl]benzamide CAS Name: 2-acetamido-N-[(2S,4S,5S,7R)-4-amino-7-[butylamino(oxo)methyl]-5-hydroxy-8-methyl-2-propan-2-ylnonyl]benzamide IUPAC Name: 2-acetamido-N-[(2S,4S,5S,7R)-4-amino-7-(butylcarbamoyl)-5-hydroxy-8-methyl-2-propan-2-ylnonyl]benzamide Traditional Name: 2-acetamido-N-[(2S,4S,5S,7R)-4-amino-7-(butylcarbamoyl)-5-hydroxy-2-isopropyl-8-methyl-nonyl]benzamide Formula: C27H46N4O4 MolecularWeight: 490.67854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC(C(CC(CNC(=O)C1=CC=CC=C1NC(=O)C)C(C)C)N)O)C(C)C

Isomeric SMILES

CCCCNC(=O)[C@H](C[C@@H]([C@H](C[C@H](CNC(=O)C1=CC=CC=C1NC(=O)C)C(C)C)N)O)C(C)C

InChI

InChI=1S/C27H46N4O4/c1-7-8-13-29-27(35)22(18(4)5)15-25(33)23(28)14-20(17(2)3)16-30-26(34)21-11-9-10-12-24(21)31-19(6)32/h9-12,17-18,20,22-23,25,33H,7-8,13-16,28H2,1-6H3,(H,29,35)(H,30,34)(H,31,32)/t20-,22-,23+,25+/m1/s1