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4-amino-N-{2-[(2S)-2-{[(1R)-1-{[(1R)-1-(hydroxycarbamoyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}benzamide

4-amino-N-{2-[(2S)-2-{[(1R)-1-{[(1R)-1-(hydroxycarbamoyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}benzamide

CAS: 124168-73-6

Formula: C23H34N6O6

SMILES: CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1=CC=C(N)C=C1)C(=O)N[C@H](C)C(=O)NO

IUPAC: 4-amino-N-{2-[(2S)-2-{[(1R)-1-{[(1R)-1-(hydroxycarbamoyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}benzamide

InChI: InChI=1S/C23H34N6O6/c1-13(2)11-17(22(33)26-14(3)20(31)28-35)27-23(34)18-5-4-10-29(18)19(30)12-25-21(32)15-6-8-16(24)9-7-15/h6-9,13-14,17-18,35H,4-5,10-12,24H2,1-3H3,(H,25,32)(H,26,33)(H,27,34)(H,28,31)/t14-,17-,18+/m1/s1

Composition: C (56.31%), H (6.99%), N (17.13%), O (19.57%)

Molar Mass: 490.561

Atom Count: 69

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 3
Exact Mass 490.253982839
Formal Charge 0
FSP3 0.52
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 6
InChIKey WWHUHFFMOPIVKB-OLMNPRSZSA-N
Lipinski's Rule of Five
Molar Refractivity 127.66
Topological Polar Surface Area 182.96
Polarizability 48.63
Ring Count 2
Rotatable Bond Count 10

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Purity LeadTime CAS PacketSize UnitPrice
96% <6 Days 124168-73-6 $155.25-$382.95$155.25$382.95
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