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(2S)-5-{[bis({[(prop-2-en-1-yloxy)carbonyl]amino})methylidene]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid

(2S)-5-{[bis({[(prop-2-en-1-yloxy)carbonyl]amino})methylidene]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid

CAS: 148893-34-9

Formula: C29H32N4O8

SMILES: OC(=O)[C@H](CCCN=C(NC(=O)OCC=C)NC(=O)OCC=C)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (2S)-5-{[bis({[(prop-2-en-1-yloxy)carbonyl]amino})methylidene]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoic acid

InChI: InChI=1S/C29H32N4O8/c1-3-16-39-28(37)32-26(33-29(38)40-17-4-2)30-15-9-14-24(25(34)35)31-27(36)41-18-23-21-12-7-5-10-19(21)20-11-6-8-13-22(20)23/h3-8,10-13,23-24H,1-2,9,14-18H2,(H,31,36)(H,34,35)(H2,30,32,33,37,38)/t24-/m0/s1

Composition: C (61.69%), H (5.71%), N (9.92%), O (22.67%)

Molar Mass: 564.595

Atom Count: 73

Heavy Atom Count: 41

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 564.222014006
Formal Charge 0
FSP3 0.28
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey RSPFZCDVPTYBLY-DEOSSOPVSA-N
Lipinski's Rule of Five
Molar Refractivity 148.17
Topological Polar Surface Area 164.65
Polarizability 58.34
Ring Count 3
Rotatable Bond Count 15

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