tert-butyl 3-[[(2R)-1-[(2S)-2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]amino]propanoate

Systemtic Name: tert-butyl 3-[[(2R)-1-[(2S)-2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]amino]propanoate Openeye Name: tert-butyl 3-[[(1R)-1-benzhydryl-2-[(2S)-2-[(5-carbamimidoyl-2-thienyl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]propanoate CAS Name: 3-[[(2R)-1-[(2S)-2-[[(5-carbamimidoyl-2-thiophenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3,3-diphenylpropan-2-yl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(2R)-1-[(2S)-2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]amino]propanoate Traditional Name: 3-[[(1R)-1-[(2S)-2-[(5-amidino-2-thienyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-diphenyl-ethyl]amino]propionic acid tert-butyl ester Formula: C33H41N5O4S MolecularWeight: 603.77474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC4=CC=C(S4)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CCN[C@H](C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)NCC4=CC=C(S4)C(=N)N

InChI

InChI=1S/C33H41N5O4S/c1-33(2,3)42-27(39)18-19-36-29(28(22-11-6-4-7-12-22)23-13-8-5-9-14-23)32(41)38-20-10-15-25(38)31(40)37-21-24-16-17-26(43-24)30(34)35/h4-9,11-14,16-17,25,28-29,36H,10,15,18-21H2,1-3H3,(H3,34,35)(H,37,40)/t25-,29+/m0/s1