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S-(phenylmethyl) 5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanethioate

S-(phenylmethyl) 5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanethioate

Systemtic Name:S-(phenylmethyl) 5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanethioate
Openeye Name:S-benzyl 2-(benzyloxycarbonylamino)-5-guanidino-pentanethioate
CAS Name:5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanethioic acid S-(phenylmethyl) ester
IUPAC Name:S-benzyl 5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanethioate
Traditional Name:2-(benzyloxycarbonylamino)-5-guanidino-pentanethioic acid S-benzyl ester
Formula: C21H26N4O3S
MolecularWeight: 414.52114
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)N)C(=O)SCC2=CC=CC=C2


Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)N)C(=O)SCC2=CC=CC=C2


InChI

InChI=1S/C21H26N4O3S/c22-20(23)24-13-7-12-18(19(26)29-15-17-10-5-2-6-11-17)25-21(27)28-14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,25,27)(H4,22,23,24)


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