(2S)-N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-[[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-sulfanyl-pentanoyl]amino]-4-methyl-pentanamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-[[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-sulfanyl-pentanoyl]amino]-4-methyl-pentanamide Openeye Name: (2S)-N-[(1S)-1-carbamoyl-4-guanidino-butyl]-2-[[5-(1,3-dioxoisoindolin-2-yl)-2-sulfanyl-pentanoyl]amino]-4-methyl-pentanamide CAS Name: (2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[5-(1,3-dioxo-2-isoindolyl)-2-mercapto-1-oxopentyl]amino]-4-methylpentanamide IUPAC Name: (2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[5-(1,3-dioxoisoindol-2-yl)-2-sulfanylpentanoyl]amino]-4-methylpentanamide Traditional Name: (2S)-N-[(1S)-1-carbamoyl-4-guanidino-butyl]-2-[(2-mercapto-5-phthalimido-pentanoyl)amino]-4-methyl-valeramide Formula: C25H37N7O5S MolecularWeight: 547.67018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CCCN1C(=O)C2=CC=CC=C2C1=O)S

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)C(CCCN1C(=O)C2=CC=CC=C2C1=O)S

InChI

InChI=1S/C25H37N7O5S/c1-14(2)13-18(21(34)30-17(20(26)33)9-5-11-29-25(27)28)31-22(35)19(38)10-6-12-32-23(36)15-7-3-4-8-16(15)24(32)37/h3-4,7-8,14,17-19,38H,5-6,9-13H2,1-2H3,(H2,26,33)(H,30,34)(H,31,35)(H4,27,28,29)/t17-,18-,19?/m0/s1