(2S)-1-[(2S)-2-[(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanamido]propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-2-[(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanamido]propanoyl]pyrrolidine-2-carboxylic acid

CAS: 161220-53-7

Formula: C26H29N3O6

SMILES: C[C@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O

IUPAC: (2S)-1-[(2S)-2-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]propanoyl]pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C26H29N3O6/c1-15(23(30)27-16(2)24(31)29-13-7-12-22(29)25(32)33)28-26(34)35-14-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,15-16,21-22H,7,12-14H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,16-,22-/m0/s1

Composition: C (65.12%), H (6.10%), N (8.76%), O (20.02%)

Molar Mass: 479.533

Atom Count: 64

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	479.205635666
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	BEUOECKRMVYVFQ-WCJKSRRJSA-N
Lipinski's Rule of Five	1
Molar Refractivity	126.86
Topological Polar Surface Area	125.04
Polarizability	50.44
Ring Count	4
Rotatable Bond Count	8

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