Summary

IMPPAT Phytochemical identifier: IMPHY002209

Phytochemical name: Pyrosaccharopine

Synonymous chemical names:
(2s,2s)-pyrosaccharopine

External chemical identifiers:
CID:101642997, ZINC:ZINC000014684305

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Chemical structure information

SMILES:
N[C@H](C(=O)O)CCCCN1C(=O)CC[C@H]1C(=O)O

InChI:
InChI=1S/C11H18N2O5/c12-7(10(15)16)3-1-2-6-13-8(11(17)18)4-5-9(13)14/h7-8H,1-6,12H2,(H,15,16)(H,17,18)/t7-,8-/m0/s1

InChIKey:
KZGLERZNBKMMPP-YUMQZZPRSA-N

DeepSMILES:
N[C@H]C=O)O))CCCCNC=O)CC[C@H]5C=O)O

Functional groups:
CC(=O)N(C)C, CC(=O)O, CN

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCN1

Scaffold Graph/Node level:
OC1CCCN1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 0.338

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Chemical structure download