4-[[4-azanyl-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-methyl-amino]-4-[(1-carbamimidoylpiperidin-3-yl)methyl]-5-methoxy-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[4-azanyl-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-methyl-amino]-4-[(1-carbamimidoylpiperidin-3-yl)methyl]-5-methoxy-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-amino-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-methyl-amino]-4-[(1-carbamimidoyl-3-piperidyl)methyl]-5-methoxy-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 4-[[4-amino-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-methylamino]-4-[(1-carbamimidoyl-3-piperidinyl)methyl]-5-methoxy-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 4-[[4-amino-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-methylamino]-4-[(1-carbamimidoylpiperidin-3-yl)methyl]-5-methoxy-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 4-[(1-amidino-3-piperidyl)methyl]-4-[[4-amino-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-methyl-amino]-5-keto-5-methoxy-3,3-dimethyl-valeric acid Formula: C30H42N6O8S MolecularWeight: 646.75488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)C(CC1CCCN(C1)C(=N)N)(C(=O)OC)N(C)C(=O)C(CC(=O)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(CC(=O)O)C(CC1CCCN(C1)C(=N)N)(C(=O)OC)N(C)C(=O)C(CC(=O)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C30H42N6O8S/c1-29(2,17-25(38)39)30(27(41)44-4,16-19-8-7-13-36(18-19)28(32)33)35(3)26(40)23(15-24(31)37)34-45(42,43)22-12-11-20-9-5-6-10-21(20)14-22/h5-6,9-12,14,19,23,34H,7-8,13,15-18H2,1-4H3,(H2,31,37)(H3,32,33)(H,38,39)