(2S)-5-(carbamoylamino)-2-[(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-methylbutanamido]pentanoic acid

(2S)-5-(carbamoylamino)-2-[(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-methylbutanamido]pentanoic acid

CAS: 159858-21-6

Formula: C26H32N4O6

SMILES: CC(C)[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)N[C@@H](CCCNC(N)=O)C(O)=O

IUPAC: (2S)-5-(carbamoylamino)-2-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanamido]pentanoic acid

InChI: InChI=1S/C26H32N4O6/c1-15(2)22(23(31)29-21(24(32)33)12-7-13-28-25(27)34)30-26(35)36-14-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-6,8-11,15,20-22H,7,12-14H2,1-2H3,(H,29,31)(H,30,35)(H,32,33)(H3,27,28,34)/t21-,22-/m0/s1

Composition: C (62.89%), H (6.50%), N (11.28%), O (19.33%)

Molar Mass: 496.564

Atom Count: 68

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	496.232184766
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	5
InChIKey	ZJLNQOIFTYLCHC-VXKWHMMOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	131.7
Topological Polar Surface Area	159.85
Polarizability	52.3
Ring Count	3
Rotatable Bond Count	12

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