2-[[(2S)-1-[[1-[[(2S)-4-azanyl-1-(3-naphthalen-1-ylpropylamino)-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]cyclohexyl]amino]-3-[4-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[(2S)-1-[[1-[[(2S)-4-azanyl-1-(3-naphthalen-1-ylpropylamino)-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]cyclohexyl]amino]-3-[4-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[(1S)-2-[[1-[[(1S)-3-amino-1-[3-(1-naphthyl)propylcarbamoyl]-3-oxo-propyl]carbamoyl]cyclohexyl]amino]-1-[[4-(2-ethoxy-1-ethoxycarbonyl-2-oxo-ethyl)phenyl]methyl]-2-oxo-ethyl]amino]-2-oxo-acetic acid CAS Name: 2-[[(2S)-1-[[1-[[[(2S)-4-amino-1-[3-(1-naphthalenyl)propylamino]-1,4-dioxobutan-2-yl]amino]-oxomethyl]cyclohexyl]amino]-3-[4-(1,3-diethoxy-1,3-dioxopropan-2-yl)phenyl]-1-oxopropan-2-yl]amino]-2-oxoacetic acid IUPAC Name: 2-[[(2S)-1-[[1-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-3-[4-(1,3-diethoxy-1,3-dioxopropan-2-yl)phenyl]-1-oxopropan-2-yl]amino]-2-oxoacetic acid Traditional Name: 2-[[(1S)-2-[[1-[[(1S)-3-amino-3-keto-1-[3-(1-naphthyl)propylcarbamoyl]propyl]carbamoyl]cyclohexyl]amino]-1-[4-(1-carbethoxy-2-ethoxy-2-keto-ethyl)benzyl]-2-keto-ethyl]amino]-2-keto-acetic acid Formula: C42H51N5O11 MolecularWeight: 801.88124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)CC(C(=O)NC2(CCCCC2)C(=O)NC(CC(=O)N)C(=O)NCCCC3=CC=CC4=CC=CC=C43)NC(=O)C(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)C[C@@H](C(=O)NC2(CCCCC2)C(=O)N[C@@H](CC(=O)N)C(=O)NCCCC3=CC=CC4=CC=CC=C43)NC(=O)C(=O)O)C(=O)OCC

InChI

InChI=1S/C42H51N5O11/c1-3-57-39(54)34(40(55)58-4-2)29-19-17-26(18-20-29)24-31(45-37(51)38(52)53)36(50)47-42(21-8-5-9-22-42)41(56)46-32(25-33(43)48)35(49)44-23-11-15-28-14-10-13-27-12-6-7-16-30(27)28/h6-7,10,12-14,16-20,31-32,34H,3-5,8-9,11,15,21-25H2,1-2H3,(H2,43,48)(H,44,49)(H,45,51)(H,46,56)(H,47,50)(H,52,53)/t31-,32-/m0/s1