Summary

IMPPAT Phytochemical identifier: IMPHY014565

Phytochemical name: H-Gly-Lys-Lys-Ile-Ala-Thr-Tyr-Gln-Glu-Arg-OH

Synonymous chemical names:
yg-2

External chemical identifiers:
CID:101594431

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Chemical structure information

SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)CCC(=O)O)CCC(=O)N)Cc1ccc(cc1)O)[C@H](O)C)C)[C@H](CC)C)NC(=O)[C@@H](NC(=O)CN)CCCCN

InChI:
InChI=1S/C52H88N16O16/c1-5-27(2)41(67-47(79)33(12-7-9-23-54)62-44(76)32(11-6-8-22-53)61-39(72)26-55)49(81)60-28(3)43(75)68-42(29(4)69)50(82)66-37(25-30-14-16-31(70)17-15-30)48(80)64-34(18-20-38(56)71)45(77)63-35(19-21-40(73)74)46(78)65-36(51(83)84)13-10-24-59-52(57)58/h14-17,27-29,32-37,41-42,69-70H,5-13,18-26,53-55H2,1-4H3,(H2,56,71)(H,60,81)(H,61,72)(H,62,76)(H,63,77)(H,64,80)(H,65,78)(H,66,82)(H,67,79)(H,68,75)(H,73,74)(H,83,84)(H4,57,58,59)/t27-,28-,29+,32-,33-,34-,35-,36-,37-,41-,42-/m0/s1

InChIKey:
OSXRNCSRDFEOTA-PBEFRTBXSA-N

DeepSMILES:
NCCCC[C@@H]C=O)N[C@H]C=O)N[C@H]C=O)N[C@H]C=O)N[C@H]C=O)N[C@H]C=O)N[C@H]C=O)N[C@H]C=O)O))CCCN=CN)N)))))))))CCC=O)O)))))))CCC=O)N)))))))Ccccccc6))O)))))))))[C@H]O)C)))))C))))[C@H]CC))C)))))NC=O)[C@@H]NC=O)CN))))CCCCN

Functional groups:
CC(=O)NC, CC(=O)O, CC(N)=O, CN, CN=C(N)N, CNC(C)=O, CO, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic Polymers

ClassyFire Class: Polypeptides

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Oligopeptides

NP Classifier Class: Linear peptides

NP-Likeness score: 0.356

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Chemical structure download