6-azanyl-2,3,4,4-tetrakis(2-azanylpropanoyl)-3-[2,6-bis(azanyl)-4-(2-azanylpropanoyl)-3,5-bis(oxidanylidene)heptan-4-yl]-2-[bis(2-azanylpropanoyl)amino]-5-oxidanylidene-heptanoic acid

Systemtic Name: 6-azanyl-2,3,4,4-tetrakis(2-azanylpropanoyl)-3-[2,6-bis(azanyl)-4-(2-azanylpropanoyl)-3,5-bis(oxidanylidene)heptan-4-yl]-2-[bis(2-azanylpropanoyl)amino]-5-oxidanylidene-heptanoic acid Openeye Name: 6-amino-3-[3-amino-1,1-bis(2-aminopropanoyl)-2-oxo-butyl]-2,3,4,4-tetrakis(2-aminopropanoyl)-2-[bis(2-aminopropanoyl)amino]-5-oxo-heptanoic acid CAS Name: 6-amino-2,3,4,4-tetrakis(2-amino-1-oxopropyl)-2-[bis(2-amino-1-oxopropyl)amino]-3-[2,6-diamino-4-(2-amino-1-oxopropyl)-3,5-dioxoheptan-4-yl]-5-oxoheptanoic acid IUPAC Name: 6-amino-2,3,4,4-tetrakis(2-aminopropanoyl)-2-[bis(2-aminopropanoyl)amino]-3-[2,6-diamino-4-(2-aminopropanoyl)-3,5-dioxoheptan-4-yl]-5-oxoheptanoic acid Traditional Name: 2,3,4,4-tetraalanyl-6-amino-2-(dialanylamino)-3-(1,1-dialanyl-3-amino-2-keto-butyl)-5-keto-enanthic acid Formula: C35H61N11O12 MolecularWeight: 827.92534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C(=O)C(C)N)(C(=O)C(C)N)C(C(=O)C(C)N)(C(C(=O)C(C)N)(C(=O)C(C)N)C(=O)C(C)N)C(C(=O)C(C)N)(C(=O)O)N(C(=O)C(C)N)C(=O)C(C)N)N

Isomeric SMILES

CC(C(=O)C(C(=O)C(C)N)(C(=O)C(C)N)C(C(=O)C(C)N)(C(C(=O)C(C)N)(C(=O)C(C)N)C(=O)C(C)N)C(C(=O)C(C)N)(C(=O)O)N(C(=O)C(C)N)C(=O)C(C)N)N

InChI

InChI=1S/C35H61N11O12/c1-11(36)21(47)32(22(48)12(2)37,23(49)13(3)38)35(28(54)18(8)43,33(24(50)14(4)39,25(51)15(5)40)26(52)16(6)41)34(31(57)58,27(53)17(7)42)46(29(55)19(9)44)30(56)20(10)45/h11-20H,36-45H2,1-10H3,(H,57,58)