4-azanyl-2-(2-azanylethanoylamino)-2-[3-azanyl-2-oxidanylidene-1-[4-(4-piperidin-4-ylbutoxy)phenyl]propyl]-3-oxidanylidene-5-sulfanyl-pentanoic acid

Systemtic Name: 4-azanyl-2-(2-azanylethanoylamino)-2-[3-azanyl-2-oxidanylidene-1-[4-(4-piperidin-4-ylbutoxy)phenyl]propyl]-3-oxidanylidene-5-sulfanyl-pentanoic acid Openeye Name: 4-amino-2-[(2-aminoacetyl)amino]-2-[3-amino-2-oxo-1-[4-[4-(4-piperidyl)butoxy]phenyl]propyl]-3-oxo-5-sulfanyl-pentanoic acid CAS Name: 5-amino-2-(2-amino-3-mercapto-1-oxopropyl)-2-[(2-amino-1-oxoethyl)amino]-4-oxo-3-[4-[4-(4-piperidinyl)butoxy]phenyl]pentanoic acid IUPAC Name: 4-amino-2-[(2-aminoacetyl)amino]-2-[3-amino-2-oxo-1-[4-(4-piperidin-4-ylbutoxy)phenyl]propyl]-3-oxo-5-sulfanylpentanoic acid Traditional Name: 4-amino-2-[3-amino-2-keto-1-[4-[4-(4-piperidyl)butoxy]phenyl]propyl]-2-(glycylamino)-3-keto-5-mercapto-valeric acid Formula: C25H39N5O6S MolecularWeight: 537.67206

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCOC2=CC=C(C=C2)C(C(=O)CN)C(C(=O)C(CS)N)(C(=O)O)NC(=O)CN

Isomeric SMILES

C1CNCCC1CCCCOC2=CC=C(C=C2)C(C(=O)CN)C(C(=O)C(CS)N)(C(=O)O)NC(=O)CN

InChI

InChI=1S/C25H39N5O6S/c26-13-20(31)22(25(24(34)35,30-21(32)14-27)23(33)19(28)15-37)17-4-6-18(7-5-17)36-12-2-1-3-16-8-10-29-11-9-16/h4-7,16,19,22,29,37H,1-3,8-15,26-28H2,(H,30,32)(H,34,35)