Chemical Components in the PDB

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D7P : Summary

Code

D7P

One-letter code

X

Molecule name

D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-D-ORNITHINAMIDE

Synonyms

D-PHENYLALANINE-D-NITROARGININE AMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 D-phenylalanyl-N~5~-[(E)-(2,2-dihydroxyhydrazino)(imino)methyl]-D-ornithinamide
OpenEye OEToolkits 1.5.0 (2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-5-[[N-(dihydroxyamino)carbamimidoyl]amino]pentanamide

Formula

C15 H25 N7 O4

Formal charge

0

Molecular weight

367.404 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(N)C(NC(=O)C(N)Cc1ccccc1)CCCNC(=[N@H])NN(O)O
SMILES CACTVS 3.341 N[CH](Cc1ccccc1)C(=O)N[CH](CCCNC(=N)NN(O)O)C(N)=O
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CC(C(=O)NC(CCCNC(=N)NN(O)O)C(=O)N)N
Canonical SMILES CACTVS 3.341 N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)NN(O)O)C(N)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N

IUPAC InChI

InChI=1S/C15H25N7O4/c16-11(9-10-5-2-1-3-6-10)14(24)20-12(13(17)23)7-4-8-19-15(18)21-22(25)26/h1-3,5-6,11-12,25-26H,4,7-9,16H2,(H2,17,23)(H,20,24)(H3,18,19,21)/t11-,12-/m1/s1

IUPAC InChI key

XHGCEQHFMHULSW-VXGBXAGGSA-N
D7P

wwPDB Information

Atom count

51 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-12-18

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned