ethyl (2R)-2-[[(3S)-3-(1,3-benzodioxol-5-yl)-3-[[(2S)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxidanylidene-hexan-2-yl]carbamoylamino]propanoyl]amino]-3-methyl-butanoate

Systemtic Name: ethyl (2R)-2-[[(3S)-3-(1,3-benzodioxol-5-yl)-3-[[(2S)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxidanylidene-hexan-2-yl]carbamoylamino]propanoyl]amino]-3-methyl-butanoate Openeye Name: ethyl (2R)-2-[[(3S)-3-(1,3-benzodioxol-5-yl)-3-[[(1S)-1-[bis(2-thienylmethyl)carbamoyl]pentyl]carbamoylamino]propanoyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[(3S)-3-(1,3-benzodioxol-5-yl)-3-[[[[(2S)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]amino]-oxomethyl]amino]-1-oxopropyl]amino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[(3S)-3-(1,3-benzodioxol-5-yl)-3-[[(2S)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamoylamino]propanoyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[[(3S)-3-(1,3-benzodioxol-5-yl)-3-[[(1S)-1-[bis(2-thenyl)carbamoyl]pentyl]carbamoylamino]propanoyl]amino]-3-methyl-butyric acid ethyl ester Formula: C34H44N4O7S2 MolecularWeight: 684.86576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N(CC1=CC=CS1)CC2=CC=CS2)NC(=O)NC(CC(=O)NC(C(C)C)C(=O)OCC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC[C@@H](C(=O)N(CC1=CC=CS1)CC2=CC=CS2)NC(=O)N[C@@H](CC(=O)N[C@H](C(C)C)C(=O)OCC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C34H44N4O7S2/c1-5-7-12-26(32(40)38(19-24-10-8-15-46-24)20-25-11-9-16-47-25)35-34(42)36-27(23-13-14-28-29(17-23)45-21-44-28)18-30(39)37-31(22(3)4)33(41)43-6-2/h8-11,13-17,22,26-27,31H,5-7,12,18-21H2,1-4H3,(H,37,39)(H2,35,36,42)/t26-,27-,31+/m0/s1