(2S)-N-[(2S)-1-[[(2R)-3-(acetamidomethylsulfanyl)-1-oxidanylidene-1-[(2S)-2-(phenylazanylcarbamoyl)pyrrolidin-1-yl]propan-2-yl]amino]-4-azanyl-1,4-bis(oxidanylidene)butan-2-yl]-2-azanyl-pentanediamide

Systemtic Name: (2S)-N-[(2S)-1-[[(2R)-3-(acetamidomethylsulfanyl)-1-oxidanylidene-1-[(2S)-2-(phenylazanylcarbamoyl)pyrrolidin-1-yl]propan-2-yl]amino]-4-azanyl-1,4-bis(oxidanylidene)butan-2-yl]-2-azanyl-pentanediamide Openeye Name: (2S)-N-[(1S)-1-[[(1R)-1-(acetamidomethylsulfanylmethyl)-2-[(2S)-2-(anilinocarbamoyl)pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-3-amino-3-oxo-propyl]-2-amino-pentanediamide CAS Name: (2S)-N-[(2S)-1-[[(2R)-3-(acetamidomethylthio)-1-oxo-1-[(2S)-2-[oxo-(phenylhydrazo)methyl]-1-pyrrolidinyl]propan-2-yl]amino]-4-amino-1,4-dioxobutan-2-yl]-2-aminopentanediamide IUPAC Name: (2S)-N-[(2S)-1-[[(2R)-3-(acetamidomethylsulfanyl)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-amino-1,4-dioxobutan-2-yl]-2-aminopentanediamide Traditional Name: (2S)-N-[(1S)-1-[[(1R)-1-[(acetamidomethylthio)methyl]-2-[(2S)-2-(anilinocarbamoyl)pyrrolidino]-2-keto-ethyl]carbamoyl]-3-amino-3-keto-propyl]-2-amino-glutaramide Formula: C26H39N9O7S MolecularWeight: 621.70896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCC(C(=O)N1CCCC1C(=O)NNC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)N

Isomeric SMILES

CC(=O)NCSC[C@@H](C(=O)N1CCC[C@H]1C(=O)NNC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C26H39N9O7S/c1-15(36)30-14-43-13-19(32-24(40)18(12-22(29)38)31-23(39)17(27)9-10-21(28)37)26(42)35-11-5-8-20(35)25(41)34-33-16-6-3-2-4-7-16/h2-4,6-7,17-20,33H,5,8-14,27H2,1H3,(H2,28,37)(H2,29,38)(H,30,36)(H,31,39)(H,32,40)(H,34,41)/t17-,18-,19-,20-/m0/s1