ethyl N-[1-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-3,3-dicyclohexyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: ethyl N-[1-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-3,3-dicyclohexyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: ethyl N-[1-[2-[(5-carbamimidoyl-2-thienyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dicyclohexyl-ethyl]carbamate CAS Name: N-[1-[2-[[(5-carbamimidoyl-2-thiophenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3,3-dicyclohexyl-1-oxopropan-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-3,3-dicyclohexyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[2-[(5-amidino-2-thienyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dicyclohexyl-ethyl]carbamic acid ethyl ester Formula: C29H45N5O4S MolecularWeight: 559.7637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(C(C1CCCCC1)C2CCCCC2)C(=O)N3CCCC3C(=O)NCC4=CC=C(S4)C(=N)N

Isomeric SMILES

CCOC(=O)NC(C(C1CCCCC1)C2CCCCC2)C(=O)N3CCCC3C(=O)NCC4=CC=C(S4)C(=N)N

InChI

InChI=1S/C29H45N5O4S/c1-2-38-29(37)33-25(24(19-10-5-3-6-11-19)20-12-7-4-8-13-20)28(36)34-17-9-14-22(34)27(35)32-18-21-15-16-23(39-21)26(30)31/h15-16,19-20,22,24-25H,2-14,17-18H2,1H3,(H3,30,31)(H,32,35)(H,33,37)