Formula |
C27H33Cl2FN4O4 |
IUPAC Name |
(2s)-2-[[(2s)-2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]-[(2s)-pyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid |
Molecular Mass |
567.480 g·mol−1 |
Heat of Formation |
-878.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.76 ± 1.08 D |
Volume |
659.22 Å 3 |
Surface Area |
507.46 Å 2 |
HOMO Energy |
-8.88 ± 0.55 eV |
LUMO Energy |
2.52 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[(2s)-2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]-1-oxopropyl]-[oxo-[(2s)-2-pyrrolidinyl]methyl]amino]-3-(4-fluorophenyl)propanoic acid
- (2s)-2-[[(2s)-2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]-[(2s)-pyrrolidin-2-yl]carbonyl-amino]-3-(4-fluorophenyl)propanoic acid
- (2s)-2-[[(2s)-2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]-[(2s)-pyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
- (2s)-2-[[(2s)-2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]-prolyl-amino]-3-(4-fluorophenyl)propionic acid
- l-propyl-m-sarcolysyl-l-p-fluorophenylalanine
- propyl-3-sarcolysin-4-fluorophenylalanine
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CAS Number(s) |
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InChIKey |
BLXQMNHLYWSVRZ-HJOGWXRNSA-N |
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Links |
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DOI |
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Elements |
C
F
H
Cl
O
N
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