(2R)-2-[[(2S)-6-[bis(azanyl)methylideneamino]-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]propanoic acid

Systemtic Name: (2R)-2-[[(2S)-6-[bis(azanyl)methylideneamino]-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]propanoic acid Openeye Name: (2R)-2-[[(1S)-5-guanidino-1-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]pentyl]amino]propanoic acid CAS Name: (2R)-2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]propanoic acid IUPAC Name: (2R)-2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]propanoic acid Traditional Name: (2R)-2-[[(1S)-5-guanidino-1-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]pentyl]amino]propionic acid Formula: C22H36N6O4 MolecularWeight: 448.55904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CCCCN=C(N)N)NC(C)C(=O)O

Isomeric SMILES

C[C@H](C(=O)O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C22H36N6O4/c1-14(2)13-18(20(30)27-16-9-5-4-6-10-16)28-19(29)17(26-15(3)21(31)32)11-7-8-12-25-22(23)24/h4-6,9-10,14-15,17-18,26H,7-8,11-13H2,1-3H3,(H,27,30)(H,28,29)(H,31,32)(H4,23,24,25)/t15-,17+,18+/m1/s1