2-[[2-[[2-[[5-[bis(azanyl)methylideneamino]-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethanoylamino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[5-[bis(azanyl)methylideneamino]-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethanoylamino]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-(9H-fluoren-9-ylmethoxycarbonylamino)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-[[5-(diaminomethylideneamino)-2-[[2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxoethyl]amino]-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-[[5-(diaminomethylideneamino)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C39H50N10O10 MolecularWeight: 818.8753

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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)OCC2C3=CC=CC=C3C4=CC=CC=C24

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)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C39H50N10O10/c1-21(2)14-31(37(56)57)49-36(55)30(16-33(51)52)48-35(54)29(15-22-17-42-20-45-22)47-34(53)28(12-7-13-43-38(40)41)46-32(50)18-44-39(58)59-19-27-25-10-5-3-8-23(25)24-9-4-6-11-26(24)27/h3-6,8-11,17,20-21,27-31H,7,12-16,18-19H2,1-2H3,(H,42,45)(H,44,58)(H,46,50)(H,47,53)(H,48,54)(H,49,55)(H,51,52)(H,56,57)(H4,40,41,43)