(2R)-2-acetamido-N-[(2S)-1-[[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]amino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]-3-phenyl-propanamide

Systemtic Name: (2R)-2-acetamido-N-[(2S)-1-[[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]amino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]-3-phenyl-propanamide Openeye Name: (2R)-2-acetamido-N-[(1S)-2-[[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]amino]-1-(1-naphthylmethyl)-2-oxo-ethyl]-3-phenyl-propanamide CAS Name: (2R)-2-acetamido-N-[(2S)-1-[[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]amino]-3-(1-naphthalenyl)-1-oxopropan-2-yl]-3-phenylpropanamide IUPAC Name: (2R)-2-acetamido-N-[(2S)-1-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-3-phenylpropanamide Traditional Name: (2R)-2-acetamido-N-[(1S)-2-[[(3S)-1-amidino-2-hydroxy-3-piperidyl]amino]-2-keto-1-(1-naphthylmethyl)ethyl]-3-phenyl-propionamide Formula: C30H36N6O4 MolecularWeight: 544.64464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)NC4CCCN(C4O)C(=N)N

Isomeric SMILES

CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC3=CC=CC=C32)C(=O)N[C@H]4CCCN(C4O)C(=N)N

InChI

InChI=1S/C30H36N6O4/c1-19(37)33-25(17-20-9-3-2-4-10-20)27(38)35-26(18-22-13-7-12-21-11-5-6-14-23(21)22)28(39)34-24-15-8-16-36(29(24)40)30(31)32/h2-7,9-14,24-26,29,40H,8,15-18H2,1H3,(H3,31,32)(H,33,37)(H,34,39)(H,35,38)/t24-,25+,26-,29?/m0/s1