(2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-5-[(1-methoxy-1-oxidanylidene-tetradecan-2-yl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-5-[(1-methoxy-1-oxidanylidene-tetradecan-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-(1-methoxycarbonyltridecylamino)-5-oxo-pentanoic acid CAS Name: (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]-5-[(1-methoxy-1-oxotetradecan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[(1-methoxy-1-oxotetradecan-2-yl)amino]-5-oxopentanoic acid Traditional Name: (2S)-5-(1-carbomethoxytridecylamino)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-keto-valeric acid Formula: C35H51N9O6 MolecularWeight: 693.83614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)OC)NC(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)OC)NC(=O)CC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C35H51N9O6/c1-4-5-6-7-8-9-10-11-12-13-14-27(34(49)50-3)40-28(45)20-19-26(33(47)48)41-32(46)23-15-17-25(18-16-23)44(2)22-24-21-38-31-29(39-24)30(36)42-35(37)43-31/h15-18,21,26-27H,4-14,19-20,22H2,1-3H3,(H,40,45)(H,41,46)(H,47,48)(H4,36,37,38,42,43)/t26-,27?/m0/s1