L-phenylalanyl-L-arginyl-L-histidyl-L-aspartyl-L-serylglycyl-L-tyrosyl-L-glutamyl-L-valyl-L-histidyl-L-histidyl-L-glutaminyl-L-lysine | SBID = 2110 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2: 744.63
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -7.06
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C72H102N24O21
M / g/mol: 1639.72848
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide
  • Name: L-phenylalanyl-L-arginyl-L-histidyl-L-aspartyl-L-serylglycyl-L-tyrosyl-L-glutamyl-L-valyl-L-histidyl-L-histidyl-L-glutaminyl-L-lysine
  • Preferred Abbreviation: Phe-Arg-His-Asp-Ser-Gly-Tyr-Glu-Val-His-His-Gln-Lys
  • IUPAC Name:
  • CAS:
  • CID: -924
  • InChiKey: PLFUJDRXELNEAE-UHFFFAOYSA-N
  • InChi: InChI=1S/C72H102N24O21/c1-37(2)59(70(115)94-52(27-42-31-80-36-85-42)68(113)92-50(25-40-29-78-34-83-40)66(111)88-46(17-19-55(75)99)63(108)90-48(71(116)117)11-6-7-21-73)96-64(109)47(18-20-57(101)102)89-65(110)49(24-39-13-15-43(98)16-14-39)86-56(100)32-82-61(106)54(33-97)95-69(114)53(28-58(103)104)93-67(112)51(26-41-30-79-35-84-41)91-62(107)45(12-8-22-81-72(76)77)87-60(105)44(74)23-38-9-4-3-5-10-38/h3-5,9-10,13-16,29-31,34-37,44-54,59,97-98H,6-8,11-12,17-28,32-33,73-74H2,1-2H3,(H2,75,99)(H,78,83)(H,79,84)(H,80,85)(H,82,106)(H,86,100)(H,87,105)(H,88,111)(H,89,110)(H,90,108)(H,91,107)(H,92,113)(H,93,112)(H,94,115)(H,95,114)(H,96,109)(H,101,102)(H,103,104)(H,116,117)(H4,76,77,81)
  • CanoSmiles: NCCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)CCCNC(=N)N)Cc1c[nH]cn1)CC(=O)O)CO)CCC(=O)O)Cc1c[nH]cn1)Cc1c[nH]cn1)CCC(=O)N
  • IsoSmiles: CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O