methyl (2S)-2-[2-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[2-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[[2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C16H16N5O3S2- MolecularWeight: 390.45994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CSC3=N[N-]C(=N)S3

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CSC3=N[N-]C(=N)S3

InChI

InChI=1S/C16H17N5O3S2/c1-24-14(23)12(6-9-7-18-11-5-3-2-4-10(9)11)19-13(22)8-25-16-21-20-15(17)26-16/h2-5,7,12,18H,6,8H2,1H3,(H3,17,19,20,22)/p-1/t12-/m0/s1