(4-nitrophenyl)methyl 2-[[(2R)-1-[(2S)-2-[[(2R)-2-azanyl-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-naphthalen-2-yl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[[(2R)-1-[(2S)-2-[[(2R)-2-azanyl-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-naphthalen-2-yl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[[(2R)-1-[(2S)-2-[[(2R)-2-amino-5-(benzyloxycarbonylamino)pentanoyl]amino]-3-(2-naphthyl)propanoyl]pyrrolidine-2-carbonyl]amino]acetate CAS Name: 2-[[[(2R)-1-[(2S)-2-[[(2R)-2-amino-1-oxo-5-(phenylmethoxycarbonylamino)pentyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[(2R)-1-[(2S)-2-[[(2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate Traditional Name: 2-[[(2R)-1-[(2S)-2-[[(2R)-2-amino-5-(benzyloxycarbonylamino)pentanoyl]amino]-3-(2-naphthyl)propanoyl]prolyl]amino]acetic acid (4-nitrobenzyl) ester Formula: C40H44N6O9 MolecularWeight: 752.81216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CCCNC(=O)OCC4=CC=CC=C4)N)C(=O)NCC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@@H](CCCNC(=O)OCC4=CC=CC=C4)N)C(=O)NCC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C40H44N6O9/c41-33(12-6-20-42-40(51)55-26-27-8-2-1-3-9-27)37(48)44-34(23-29-14-17-30-10-4-5-11-31(30)22-29)39(50)45-21-7-13-35(45)38(49)43-24-36(47)54-25-28-15-18-32(19-16-28)46(52)53/h1-5,8-11,14-19,22,33-35H,6-7,12-13,20-21,23-26,41H2,(H,42,51)(H,43,49)(H,44,48)/t33-,34+,35-/m1/s1