(4S)-4-[[(2S)-2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-amino-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-5-amino-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-5-amino-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-amino-5-keto-valeric acid Formula: C22H33N7O6 MolecularWeight: 491.54072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)C(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N

InChI

InChI=1S/C22H33N7O6/c1-13(30)27-16(8-5-11-26-22(24)25)20(34)29-17(12-14-6-3-2-4-7-14)21(35)28-15(19(23)33)9-10-18(31)32/h2-4,6-7,15-17H,5,8-12H2,1H3,(H2,23,33)(H,27,30)(H,28,35)(H,29,34)(H,31,32)(H4,24,25,26)/t15-,16-,17-/m0/s1