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(phenylmethyl) 4-[2-adamantyl-[2-(2-azanylethanoylamino)propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoate

(phenylmethyl) 4-[2-adamantyl-[2-(2-azanylethanoylamino)propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoate

Systemtic Name:(phenylmethyl) 4-[2-adamantyl-[2-(2-azanylethanoylamino)propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoate
Openeye Name:benzyl 4-[2-adamantyl-[2-[(2-aminoacetyl)amino]propanoyl]amino]-5-amino-5-oxo-pentanoate
CAS Name:4-[2-adamantyl-[2-[(2-amino-1-oxoethyl)amino]-1-oxopropyl]amino]-5-amino-5-oxopentanoic acid (phenylmethyl) ester
IUPAC Name:benzyl 4-[2-adamantyl-[2-[(2-aminoacetyl)amino]propanoyl]amino]-5-amino-5-oxopentanoate
Traditional Name:4-[2-adamantyl-[2-(glycylamino)propanoyl]amino]-5-amino-5-keto-valeric acid benzyl ester
Formula: C27H38N4O5
MolecularWeight: 498.61442
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C1C2CC3CC(C2)CC1C3)C(CCC(=O)OCC4=CC=CC=C4)C(=O)N)NC(=O)CN


Isomeric SMILES

CC(C(=O)N(C1C2CC3CC(C2)CC1C3)C(CCC(=O)OCC4=CC=CC=C4)C(=O)N)NC(=O)CN


InChI

InChI=1S/C27H38N4O5/c1-16(30-23(32)14-28)27(35)31(25-20-10-18-9-19(12-20)13-21(25)11-18)22(26(29)34)7-8-24(33)36-15-17-5-3-2-4-6-17/h2-6,16,18-22,25H,7-15,28H2,1H3,(H2,29,34)(H,30,32)


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