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methyl (2R)-2-[[(2S)-2-azanyl-3-(4-ethoxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoate

methyl (2R)-2-[[(2S)-2-azanyl-3-(4-ethoxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoate

Systemtic Name:methyl (2R)-2-[[(2S)-2-azanyl-3-(4-ethoxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoate
Openeye Name:methyl (2R)-2-[[(2S)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]-5-guanidino-pentanoate
CAS Name:(2R)-2-[[(2S)-2-amino-3-(4-ethoxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid methyl ester
IUPAC Name:methyl (2R)-2-[[(2S)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoate
Traditional Name:(2R)-2-[[(2S)-2-amino-3-p-phenetyl-propanoyl]amino]-5-guanidino-valeric acid methyl ester
Formula: C18H29N5O4
MolecularWeight: 379.45396
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)OC)N


Isomeric SMILES

CCOC1=CC=C(C=C1)C[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)OC)N


InChI

InChI=1S/C18H29N5O4/c1-3-27-13-8-6-12(7-9-13)11-14(19)16(24)23-15(17(25)26-2)5-4-10-22-18(20)21/h6-9,14-15H,3-5,10-11,19H2,1-2H3,(H,23,24)(H4,20,21,22)/t14-,15+/m0/s1


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Name: methyl (2R)-2-[[(2S)-2-azanyl-3-(4-ethoxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoate

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