1-[(2S,4S,5S)-5-azanyl-6-cyclohexyl-4-oxidanyl-2-prop-2-enyl-hexanoyl]-N-[(2S,3S)-2-azanyl-3-methyl-pentanoyl]-2H-pyridine-6-carboxamide

Systemtic Name: 1-[(2S,4S,5S)-5-azanyl-6-cyclohexyl-4-oxidanyl-2-prop-2-enyl-hexanoyl]-N-[(2S,3S)-2-azanyl-3-methyl-pentanoyl]-2H-pyridine-6-carboxamide Openeye Name: 1-[(2S,4S,5S)-2-allyl-5-amino-6-cyclohexyl-4-hydroxy-hexanoyl]-N-[(2S,3S)-2-amino-3-methyl-pentanoyl]-2H-pyridine-6-carboxamide CAS Name: 1-[(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-1-oxo-2-prop-2-enylhexyl]-N-[(2S,3S)-2-amino-3-methyl-1-oxopentyl]-2H-pyridine-6-carboxamide IUPAC Name: 1-[(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-enylhexanoyl]-N-[(2S,3S)-2-amino-3-methylpentanoyl]-2H-pyridine-6-carboxamide Traditional Name: 1-[(2S)-2-[(2S,3S)-3-amino-4-cyclohexyl-2-hydroxy-butyl]pent-4-enoyl]-N-[(2S,3S)-2-amino-3-methyl-pentanoyl]-2H-pyridine-6-carboxamide Formula: C27H44N4O4 MolecularWeight: 488.66266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(=O)C1=CC=CCN1C(=O)C(CC=C)CC(C(CC2CCCCC2)N)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC(=O)C1=CC=CCN1C(=O)[C@@H](CC=C)C[C@@H]([C@H](CC2CCCCC2)N)O)N

InChI

InChI=1S/C27H44N4O4/c1-4-11-20(17-23(32)21(28)16-19-12-7-6-8-13-19)27(35)31-15-10-9-14-22(31)25(33)30-26(34)24(29)18(3)5-2/h4,9-10,14,18-21,23-24,32H,1,5-8,11-13,15-17,28-29H2,2-3H3,(H,30,33,34)/t18-,20-,21-,23-,24-/m0/s1