N-[6-azanyl-1-[[1-[(1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-2-[[4-azanyl-2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]pentanediamide

Systemtic Name: N-[6-azanyl-1-[[1-[(1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-2-[[4-azanyl-2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]pentanediamide Openeye Name: N-[5-amino-1-[[1-[[2-amino-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]pentyl]-2-[[4-amino-2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]pentanediamide CAS Name: N-[6-amino-1-[[1-[(1-amino-3-mercapto-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]-2-[[4-amino-2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]pentanediamide IUPAC Name: N-[6-amino-1-[[1-[(1-amino-1-oxo-3-sulfanylpropan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]-2-[[4-amino-2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]pentanediamide Traditional Name: N-[5-amino-1-[[1-[[2-amino-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]pentyl]-2-[[4-amino-2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]glutaramide Formula: C31H57N11O10S2 MolecularWeight: 807.98198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CS)C(=O)N)NC(=O)C(CS)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CS)C(=O)N)NC(=O)C(CS)N

InChI

InChI=1S/C31H57N11O10S2/c1-4-14(2)23(41-26(47)16(33)12-53)30(51)39-19(11-22(35)45)29(50)38-18(8-9-21(34)44)27(48)37-17(7-5-6-10-32)28(49)42-24(15(3)43)31(52)40-20(13-54)25(36)46/h14-20,23-24,43,53-54H,4-13,32-33H2,1-3H3,(H2,34,44)(H2,35,45)(H2,36,46)(H,37,48)(H,38,50)(H,39,51)(H,40,52)(H,41,47)(H,42,49)