sodium (2R)-2-[[(2R)-2-[3-(azepan-1-ylcarbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: sodium (2R)-2-[[(2R)-2-[3-(azepan-1-ylcarbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: sodium (2R)-2-[[(2R)-2-[3-(azepane-1-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: sodium (2R)-2-[[(2R)-2-[[3-[[1-azepanyl(oxo)methyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: sodium (2R)-2-[[(2R)-2-[3-(azepane-1-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: sodium (2R)-2-[[(2R)-2-[3-(azepane-1-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propionate Formula: C32H37N6NaO5 MolecularWeight: 608.66315

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)NCCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)[O-].[Na+]

Isomeric SMILES

C1CCCN(CC1)C(=O)NCCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)[O-].[Na+]

InChI

InChI=1S/C32H38N6O5.Na/c39-29(13-14-33-32(43)38-15-7-1-2-8-16-38)36-27(17-21-19-34-25-11-5-3-9-23(21)25)30(40)37-28(31(41)42)18-22-20-35-26-12-6-4-10-24(22)26;/h3-6,9-12,19-20,27-28,34-35H,1-2,7-8,13-18H2,(H,33,43)(H,36,39)(H,37,40)(H,41,42);/q;+1/p-1/t27-,28-;/m1./s1