2-[[2-[[2-[[2-[2-[[2-(2-azanylethanoylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[2-[[2-(2-azanylethanoylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-(glycylamino)-4-hydroxy-4-keto-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C30H48N12O12 MolecularWeight: 768.77532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)CN

InChI

InChI=1S/C30H48N12O12/c1-14(2)6-20(29(53)54)42-28(52)19(9-24(47)48)41-27(51)17(7-15-11-34-13-37-15)40-26(50)16(4-3-5-35-30(32)33)38-22(44)12-36-25(49)18(8-23(45)46)39-21(43)10-31/h11,13-14,16-20H,3-10,12,31H2,1-2H3,(H,34,37)(H,36,49)(H,38,44)(H,39,43)(H,40,50)(H,41,51)(H,42,52)(H,45,46)(H,47,48)(H,53,54)(H4,32,33,35)