99103-03-4 Purity
96%
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Specification
The molecular formula is C50H59N9O7.
The molecular weight is 898.1 g/mol.
It was first created on 2022-12-02.
The IUPAC name is N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-(4-methoxynaphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide.
The Canonical SMILES is CC(C)CC(C(=O)N)N(C1=CC2=CC=CC=C2C(=C1)OC)C(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C5=CC=CC=C5.
There are 7 hydrogen bond donor counts.
The XLogP3-AA value is 5.4.
The topological polar surface area is 253?2.
There are 23 rotatable bond counts.
The InChIKey is PTMSINKMFIEGIC-IWWWZYECSA-N.