90547-90-3 Purity
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Specification
The molecular formula is C27H37N7O6.
It was created on October 25, 2006.
The molecular weight is 555.6 g/mol.
The IUPAC Name is 2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]-methylamino]acetic acid.
The Canonical SMILES is CN(CC(=O)O)C(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)N.
There are 7 hydrogen bond donor counts.
The topological polar surface area is 227 Ų.
Yes, the compound is canonicalized.
There are 15 rotatable bond counts.
The InChIKey is WASWOPUPHSYARB-BDTNDASRSA-N.