(2S)-2-[2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]ethanoylamino]-N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-[2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]ethanoylamino]-N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide Openeye Name: (2S)-2-[[2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]acetyl]amino]-N-[(1S)-1-carbamoyl-4-guanidino-butyl]-4-methyl-pentanamide CAS Name: (2S)-2-[[2-[[(2S)-2-acetamido-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide IUPAC Name: (2S)-2-[[2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]acetyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide Traditional Name: (2S)-2-[[2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]acetyl]amino]-N-[(1S)-1-carbamoyl-4-guanidino-butyl]-4-methyl-valeramide Formula: C21H40N8O5 MolecularWeight: 484.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)C

InChI

InChI=1S/C21H40N8O5/c1-11(2)9-15(19(33)29-14(18(22)32)7-6-8-25-21(23)24)28-16(31)10-26-20(34)17(12(3)4)27-13(5)30/h11-12,14-15,17H,6-10H2,1-5H3,(H2,22,32)(H,26,34)(H,27,30)(H,28,31)(H,29,33)(H4,23,24,25)/t14-,15-,17-/m0/s1