Delta-(L-alpha-Aminoadipoyl)-L-cysteinyl-glycine

C₁₁H₁₉N₃O₆SCAS 9002-61-3321.35 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Primary amine Thiol

Properties

Molecular formula: C₁₁H₁₉N₃O₆S
Molar mass: 321.35 g/mol
Exact mass: 321.0995 Da
logP: -1.82Crippen estimate
Polar surface area: 158.8 Å²
H-bond donors / acceptors: 6 / 6
Rotatable bonds: 10
Stereocentres: S, Rin SMILES atom order

Hazards

Danger

H317 May cause an allergic skin reaction20.5% of notifiers
H332 Harmful if inhaled20.5% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled20.5% of notifiers
H360 May damage fertility or the unborn child44.4% of notifiers
H361 Suspected of damaging fertility or the unborn child35% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure44.4% of notifiers

Aggregated from 117 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P264, P270, P271, P272, P280, P284, P302+P352, P304+P340, P317, P318, P319, P321, P333+P317, P342+P316, P362+P364, P403, P405, P501

Identifiers

CAS number

9002-61-3

SMILES

C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)NCC(=O)O

InChIKey

XFOOPZIJVVDYHI-BQBZGAKWSA-N

InChI

InChI=1S/C11H19N3O6S/c12-6(11(19)20)2-1-3-8(15)14-7(5-21)10(18)13-4-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

47 names · show all

Chorionic gonadotropin
Gonadotropin, chorionic
Coriantin
Chorionic gonadotropic hormone
Choriogonadotropin
Choriogonin
Follutein
Chorionic gonadotrophin
Ambinon
Antuitrin S
APL (hormone)
APL
Apoidina
Korotrin
Pregnyl
Randonos
Primogonyl
Gonabion
Chorulon
Chorigon
Praedyn
Ekluton
Gonatropin
Predalon
Puberogen
Profassi
CR 123
Human chorionic gonadotropin
Prolan (hormone)
Prolan S
Prolan
Physex
Profasi
Ferti-cept
Choriomon
Ovitrelle
Choragon
Pregnisin
Pregnyle
Ovogest
Ovumax-HP
Fertigyn
Veterin corion
Vetecor 5000
Vetecor
Gonadotrophin, chorionic
Novarel

Work with Delta-(L-alpha-Aminoadipoyl)-L-cysteinyl-glycine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

L-α-Aminoadipic acid1118-90-750 % similar α-Aminoadipate pathway542-32-550 % similar D-α-Aminoadipic acid7620-28-250 % similar 2-Aminopimelic acid627-76-946 % similar Dl-alpha-aminosuberic acid19641-59-945 % similar (S)-6-Oxo-2-piperidinecarboxylic acid34622-39-445 % similar Poly(L-glutamic acid)25513-46-643 % similar Glutamic acid56-86-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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