tert-butyl N-[(3S)-3-azanyl-6-[bis(azanyl)methylideneamino]-3-methanoyl-2-oxidanylidene-hexyl]carbamate

Systemtic Name: tert-butyl N-[(3S)-3-azanyl-6-[bis(azanyl)methylideneamino]-3-methanoyl-2-oxidanylidene-hexyl]carbamate Openeye Name: tert-butyl N-[(3S)-3-amino-3-formyl-6-guanidino-2-oxo-hexyl]carbamate CAS Name: N-[(3S)-3-amino-6-(diaminomethylideneamino)-3-formyl-2-oxohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-3-amino-6-(diaminomethylideneamino)-3-formyl-2-oxohexyl]carbamate Traditional Name: N-[(3S)-3-amino-3-formyl-6-guanidino-2-keto-hexyl]carbamic acid tert-butyl ester Formula: C13H25N5O4 MolecularWeight: 315.3687

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)C(CCCN=C(N)N)(C=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)[C@](CCCN=C(N)N)(C=O)N

InChI

InChI=1S/C13H25N5O4/c1-12(2,3)22-11(21)18-7-9(20)13(16,8-19)5-4-6-17-10(14)15/h8H,4-7,16H2,1-3H3,(H,18,21)(H4,14,15,17)/t13-/m0/s1