(3R)-3-[[(2R)-2-azanyl-3-naphthalen-1-yl-propanoyl]amino]-4-[[1-[[(2S)-3-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]-methyl-amino]-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3R)-3-[[(2R)-2-azanyl-3-naphthalen-1-yl-propanoyl]amino]-4-[[1-[[(2S)-3-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]-methyl-amino]-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3R)-3-[[(2R)-2-amino-3-(1-naphthyl)propanoyl]amino]-4-[1-[[(1S)-2-tert-butoxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-methyl-carbamoyl]pentylamino]-4-oxo-butanoic acid CAS Name: (3R)-3-[[(2R)-2-amino-3-(1-naphthalenyl)-1-oxopropyl]amino]-4-[[1-[[(2S)-3-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-methylamino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3R)-3-[[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]amino]-4-[[1-[[(2S)-3-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-methylamino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3R)-3-[[(2R)-2-amino-3-(1-naphthyl)propanoyl]amino]-4-[1-[[(1S)-2-tert-butoxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-methyl-carbamoyl]pentylamino]-4-keto-butyric acid Formula: C39H49N5O7 MolecularWeight: 699.83566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N(C)C(CC1=CNC2=CC=CC=C21)C(=O)OC(C)(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CC=CC4=CC=CC=C43)N

Isomeric SMILES

CCCCC(C(=O)N(C)[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC(C)(C)C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC3=CC=CC4=CC=CC=C43)N

InChI

InChI=1S/C39H49N5O7/c1-6-7-18-31(37(49)44(5)33(38(50)51-39(2,3)4)21-26-23-41-30-19-11-10-17-28(26)30)42-36(48)32(22-34(45)46)43-35(47)29(40)20-25-15-12-14-24-13-8-9-16-27(24)25/h8-17,19,23,29,31-33,41H,6-7,18,20-22,40H2,1-5H3,(H,42,48)(H,43,47)(H,45,46)/t29-,31?,32-,33+/m1/s1