(2S,3S)-2-[[(2R)-2-azanyl-3-cyclohexyl-propanoyl]amino]-N-(1-carbamimidoylpiperidin-4-yl)-3-oxidanyl-3-phenyl-propanamide

Systemtic Name: (2S,3S)-2-[[(2R)-2-azanyl-3-cyclohexyl-propanoyl]amino]-N-(1-carbamimidoylpiperidin-4-yl)-3-oxidanyl-3-phenyl-propanamide Openeye Name: (2S,3S)-2-[[(2R)-2-amino-3-cyclohexyl-propanoyl]amino]-N-(1-carbamimidoyl-4-piperidyl)-3-hydroxy-3-phenyl-propanamide CAS Name: (2S,3S)-2-[[(2R)-2-amino-3-cyclohexyl-1-oxopropyl]amino]-N-(1-carbamimidoyl-4-piperidinyl)-3-hydroxy-3-phenylpropanamide IUPAC Name: (2S,3S)-2-[[(2R)-2-amino-3-cyclohexylpropanoyl]amino]-N-(1-carbamimidoylpiperidin-4-yl)-3-hydroxy-3-phenylpropanamide Traditional Name: (2S,3S)-N-(1-amidino-4-piperidyl)-2-[[(2R)-2-amino-3-cyclohexyl-propanoyl]amino]-3-hydroxy-3-phenyl-propionamide Formula: C24H38N6O3 MolecularWeight: 458.59692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC(C(C2=CC=CC=C2)O)C(=O)NC3CCN(CC3)C(=N)N)N

Isomeric SMILES

C1CCC(CC1)C[C@H](C(=O)N[C@@H]([C@H](C2=CC=CC=C2)O)C(=O)NC3CCN(CC3)C(=N)N)N

InChI

InChI=1S/C24H38N6O3/c25-19(15-16-7-3-1-4-8-16)22(32)29-20(21(31)17-9-5-2-6-10-17)23(33)28-18-11-13-30(14-12-18)24(26)27/h2,5-6,9-10,16,18-21,31H,1,3-4,7-8,11-15,25H2,(H3,26,27)(H,28,33)(H,29,32)/t19-,20+,21+/m1/s1