tert-butyl N-[N'-[2-[[(2R,4R)-1-[(2R)-2-[[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]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-3-(4-hydroxyphenyl)propanoyl]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-3-(4-hydroxyphenyl)propanoyl]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-3-(4-hydroxyphenyl)-1-oxopropyl]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-3-(4-hydroxyphenyl)propanoyl]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-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]-4-(2-naphthylmethoxy)prolyl]amino]ethyl]-N-tert-butoxycarbonyl-amidino]carbamic acid tert-butyl ester Formula: C49H61N7O10 MolecularWeight: 908.04954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CC(CC3C(=O)NCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N3C[C@@H](C[C@@H]3C(=O)NCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C49H61N7O10/c1-31(57)52-39(26-33-18-21-37(58)22-19-33)42(59)53-40(27-32-13-9-8-10-14-32)44(61)56-29-38(64-30-34-17-20-35-15-11-12-16-36(35)25-34)28-41(56)43(60)50-23-24-51-45(54-46(62)65-48(2,3)4)55-47(63)66-49(5,6)7/h8-22,25,38-41,58H,23-24,26-30H2,1-7H3,(H,50,60)(H,52,57)(H,53,59)(H2,51,54,55,62,63)/t38-,39-,40-,41-/m1/s1