tert-butyl N-[N'-[2-[[(2R,4R)-1-[(2R)-2-[[(2R)-2-acetamido-5-azanyl-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-2-yl]carbonylamino]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Systemtic Name: tert-butyl N-[N'-[2-[[(2R,4R)-1-[(2R)-2-[[(2R)-2-acetamido-5-azanyl-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-2-yl]carbonylamino]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Openeye Name: tert-butyl N-[N'-[2-[[(2R,4R)-1-[(2R)-2-[[(2R)-2-acetamido-5-amino-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]-4-(2-naphthylmethoxy)pyrrolidine-2-carbonyl]amino]ethyl]-N-tert-butoxycarbonyl-carbamimidoyl]carbamate CAS Name: N-[2-[[[(2R,4R)-1-[(2R)-2-[[(2R)-2-acetamido-5-amino-1,5-dioxopentyl]amino]-1-oxo-3-phenylpropyl]-4-(2-naphthalenylmethoxy)-2-pyrrolidinyl]-oxomethyl]amino]ethylimino-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[N'-[2-[[(2R,4R)-1-[(2R)-2-[[(2R)-2-acetamido-5-amino-5-oxopentanoyl]amino]-3-phenylpropanoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidine-2-carbonyl]amino]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Traditional Name: N-[N'-[2-[[(2R,4R)-1-[(2R)-2-[[(2R)-2-acetamido-5-amino-5-keto-pentanoyl]amino]-3-phenyl-propanoyl]-4-(2-naphthylmethoxy)prolyl]amino]ethyl]-N-tert-butoxycarbonyl-amidino]carbamic acid tert-butyl ester Formula: C45H60N8O10 MolecularWeight: 873.0055

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N2CC(CC2C(=O)NCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2C[C@@H](C[C@@H]2C(=O)NCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C45H60N8O10/c1-28(54)49-34(19-20-37(46)55)38(56)50-35(24-29-13-9-8-10-14-29)40(58)53-26-33(61-27-30-17-18-31-15-11-12-16-32(31)23-30)25-36(53)39(57)47-21-22-48-41(51-42(59)62-44(2,3)4)52-43(60)63-45(5,6)7/h8-18,23,33-36H,19-22,24-27H2,1-7H3,(H2,46,55)(H,47,57)(H,49,54)(H,50,56)(H2,48,51,52,59,60)/t33-,34-,35-,36-/m1/s1