methyl (2S)-2-[[(2S)-2,5-bis(azanyl)pentanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2,5-bis(azanyl)pentanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate CAS Name: (2S)-2-[[(2S)-2,5-diamino-1-oxopentyl]amino]-3-[1-[(2-nitrophenyl)thio]-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate Traditional Name: (2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-[1-[(2-nitrophenyl)thio]indol-3-yl]propionic acid methyl ester Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C2=CC=CC=C21)SC3=CC=CC=C3[N+](=O)[O-])NC(=O)C(CCCN)N

Isomeric SMILES

COC(=O)[C@H](CC1=CN(C2=CC=CC=C21)SC3=CC=CC=C3[N+](=O)[O-])NC(=O)[C@H](CCCN)N

InChI

InChI=1S/C23H27N5O5S/c1-33-23(30)18(26-22(29)17(25)8-6-12-24)13-15-14-27(19-9-3-2-7-16(15)19)34-21-11-5-4-10-20(21)28(31)32/h2-5,7,9-11,14,17-18H,6,8,12-13,24-25H2,1H3,(H,26,29)/t17-,18-/m0/s1