2-[[2-[[2-[[5-azanyl-2-[[2-[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[5-azanyl-2-[[2-[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2,4-diamino-4-keto-butanoyl)amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-pentanoyl]amino]-4-(methylthio)butanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-valeric acid Formula: C31H56N12O11S MolecularWeight: 804.91514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)N)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)N)N

InChI

InChI=1S/C31H56N12O11S/c1-15(2)11-20(30(53)54)43-26(49)17(5-4-9-37-31(35)36)40-28(51)19(8-10-55-3)42-27(50)18(6-7-22(33)45)41-29(52)21(14-44)39-24(47)13-38-25(48)16(32)12-23(34)46/h15-21,44H,4-14,32H2,1-3H3,(H2,33,45)(H2,34,46)(H,38,48)(H,39,47)(H,40,51)(H,41,52)(H,42,50)(H,43,49)(H,53,54)(H4,35,36,37)