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Pp60 c-src (521-533) (phosphorylated) 1mg

CAT: 0628-A23114-1Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
149299-77-4

Chemical Information

H-thr-ser-thr-glu-pro-gln-tyr(po3h2)-gln-pro-gly-glu-asn-leu-oh
CAS Number149299-77-4
PubChem CID16137939
IUPAC Name(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC62H95N16O28P
Molecular Weight1543.5
XLogP-11.7
Topological Polar Surface Area726
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count29
Rotatable Bond Count46
Heavy Atom Count107
Formal Charge0
Complexity3280
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N3CCC[C@H]3C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)O)N)O
InChI
InChI=1S/C62H95N16O28P/c1-28(2)23-39(62(101)102)74-54(93)38(25-45(65)84)73-51(90)33(15-19-47(86)87)68-46(85)26-67-56(95)41-7-5-21-77(41)60(99)35(14-18-44(64)83)70-53(92)37(24-31-9-11-32(12-10-31)106-107(103,104)105)72-52(91)34(13-17-43(63)82)69-57(96)42-8-6-22-78(42)61(100)36(16-20-48(88)89)71-59(98)50(30(4)81)76-55(94)40(27-79)75-58(97)49(66)29(3)80/h9-12,28-30,33-42,49-50,79-81H,5-8,13-27,66H2,1-4H3,(H2,63,82)(H2,64,83)(H2,65,84)(H,67,95)(H,68,85)(H,69,96)(H,70,92)(H,71,98)(H,72,91)(H,73,90)(H,74,93)(H,75,97)(H,76,94)(H,86,87)(H,88,89)(H,101,102)(H2,103,104,105)/t29-,30-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,49+,50+/m1/s1
InChIKey
QTTDEIYNMOIHBO-VVTMTNTLSA-N
Chemical Structure
2D Structure
2D structure of H-thr-ser-thr-glu-pro-gln-tyr(po3h2)-gln-pro-gly-glu-asn-leu-oh
CAS: 149299-77-4
CID: 16137939
Formula: C62H95N16O28P
MW: 1543.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1543.5
XLogP3-11.7
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count29
Rotatable Bond Count46
Exact Mass1542.62393344
Monoisotopic Mass1542.62393344
Topological Polar Surface Area726 Ų
Heavy Atom Count107
Formal Charge0
Complexity3280
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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