2-[butyl-[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[butyl-[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]amino]ethanoic acid Openeye Name: 2-[butyl-[(2S)-4-[[(3S)-1-carbamimidoyl-3-piperidyl]methylamino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]amino]acetic acid CAS Name: 2-[butyl-[(2S)-4-[[(3S)-1-carbamimidoyl-3-piperidinyl]methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]amino]acetic acid IUPAC Name: 2-[butyl-[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-4-[[(3S)-1-amidino-3-piperidyl]methylamino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-butyl-amino]acetic acid Formula: C27H38N6O6S MolecularWeight: 574.69222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)O)C(=O)C(CC(=O)NCC1CCCN(C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCN(CC(=O)O)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C1)C(=N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H38N6O6S/c1-2-3-12-32(18-25(35)36)26(37)23(15-24(34)30-16-19-7-6-13-33(17-19)27(28)29)31-40(38,39)22-11-10-20-8-4-5-9-21(20)14-22/h4-5,8-11,14,19,23,31H,2-3,6-7,12-13,15-18H2,1H3,(H3,28,29)(H,30,34)(H,35,36)/t19-,23-/m0/s1