(2S)-2-[[(2S)-2-[[8-(3-aminocarbonyl-2-azanyl-4,5-dihydroimidazol-4-yl)-2,3-bis(azanyl)-6,7-bis(oxidanyl)octanoyl]amino]propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[8-(3-aminocarbonyl-2-azanyl-4,5-dihydroimidazol-4-yl)-2,3-bis(azanyl)-6,7-bis(oxidanyl)octanoyl]amino]propanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2,3-diamino-8-(2-amino-3-carbamoyl-4,5-dihydroimidazol-4-yl)-6,7-dihydroxy-octanoyl]amino]propanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2,3-diamino-8-(2-amino-3-carbamoyl-4,5-dihydroimidazol-4-yl)-6,7-dihydroxy-1-oxooctyl]amino]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2,3-diamino-8-(2-amino-3-carbamoyl-4,5-dihydroimidazol-4-yl)-6,7-dihydroxyoctanoyl]amino]propanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2,3-diamino-8-(2-amino-3-carbamoyl-2-imidazolin-4-yl)-6,7-dihydroxy-octanoyl]amino]propanoyl]amino]-3-methyl-butyric acid Formula: C20H38N8O7 MolecularWeight: 502.56512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)C(C(CCC(C(CC1CN=C(N1C(=O)N)N)O)O)N)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)C(C(CCC(C(CC1CN=C(N1C(=O)N)N)O)O)N)N

InChI

InChI=1S/C20H38N8O7/c1-8(2)15(18(33)34)27-16(31)9(3)26-17(32)14(22)11(21)4-5-12(29)13(30)6-10-7-25-19(23)28(10)20(24)35/h8-15,29-30H,4-7,21-22H2,1-3H3,(H2,23,25)(H2,24,35)(H,26,32)(H,27,31)(H,33,34)/t9-,10?,11?,12?,13?,14?,15-/m0/s1