(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-naphthalen-2-yl-propanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-naphthalen-2-yl-propanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(2-naphthyl)propanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(2-naphthalenyl)-1-oxopropyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]-3-(4-chlorophenyl)-1-oxopropyl]amino]-6-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]hexanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(2-naphthyl)propanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid Formula: C56H54ClN5O7 MolecularWeight: 944.51026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NC(CC5=CC=C(C=C5)Cl)C(=O)NC(CCCCNC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)C(=O)O)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C[C@H](C(=O)N[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)N[C@@H](CC5=CC=C(C=C5)Cl)C(=O)N[C@@H](CCCCNC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)C(=O)O)N

InChI

InChI=1S/C56H54ClN5O7/c57-42-26-22-35(23-27-42)32-50(53(64)60-49(55(66)67)19-9-10-28-59-56(68)69-34-47-45-17-7-5-15-43(45)44-16-6-8-18-46(44)47)62-54(65)51(33-37-21-25-39-12-2-4-14-41(39)30-37)61-52(63)48(58)31-36-20-24-38-11-1-3-13-40(38)29-36/h1-8,11-18,20-27,29-30,47-51H,9-10,19,28,31-34,58H2,(H,59,68)(H,60,64)(H,61,63)(H,62,65)(H,66,67)/t48-,49+,50+,51+/m1/s1