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(phenylmethyl) (3S)-3-azanyl-6-[bis(azanyl)methylideneamino]-2-oxidanyl-hexanoate

Systemtic Name:	(phenylmethyl) (3S)-3-azanyl-6-[bis(azanyl)methylideneamino]-2-oxidanyl-hexanoate
Openeye Name:	benzyl (3S)-3-amino-6-guanidino-2-hydroxy-hexanoate
CAS Name:	(3S)-3-amino-6-(diaminomethylideneamino)-2-hydroxyhexanoic acid (phenylmethyl) ester
IUPAC Name:	benzyl (3S)-3-amino-6-(diaminomethylideneamino)-2-hydroxyhexanoate
Traditional Name:	(3S)-3-amino-6-guanidino-2-hydroxy-hexanoic acid benzyl ester
Formula:	C₁₄H₂₂N₄O₃
MolecularWeight:	294.34948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C(CCCN=C(N)N)N)O

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O3/c15-11(7-4-8-18-14(16)17)12(19)13(20)21-9-10-5-2-1-3-6-10/h1-3,5-6,11-12,19H,4,7-9,15H2,(H4,16,17,18)/t11-,12?/m0/s1

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