U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C147H242N44O49S2
Molecular Weight 3473.8978
Optical Activity UNSPECIFIED
Defined Stereocenters 34 / 34
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Acetylcalcitonin (salmon)

SMILES

[H][C@]1(NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(N)=O)NC(C)=O)[C@@H](C)O

InChI

InChIKey=QGLNEPBGBDQPOD-IZPBQQFXSA-N
InChI=1S/C147H242N44O49S2/c1-66(2)46-87(177-141(235)112(71(11)12)185-138(232)101-64-242-241-63-100(163-77(18)201)137(231)182-98(61-194)135(229)176-93(53-106(152)205)132(226)174-91(50-70(9)10)130(224)181-99(62-195)136(230)189-116(75(16)199)144(238)183-101)119(213)159-56-108(207)164-81(26-19-21-41-148)121(215)171-90(49-69(7)8)129(223)180-97(60-193)134(228)169-84(35-38-104(150)203)123(217)167-86(37-40-111(210)211)124(218)173-89(48-68(5)6)128(222)175-92(52-79-55-157-65-162-79)131(225)166-82(27-20-22-42-149)122(216)172-88(47-67(3)4)127(221)168-85(36-39-105(151)204)126(220)188-115(74(15)198)143(237)179-95(51-78-31-33-80(202)34-32-78)145(239)191-45-25-30-103(191)139(233)170-83(28-23-43-158-147(155)156)125(219)187-114(73(14)197)142(236)178-94(54-107(153)206)133(227)186-113(72(13)196)140(234)161-57-109(208)165-96(59-192)120(214)160-58-110(209)184-117(76(17)200)146(240)190-44-24-29-102(190)118(154)212/h31-34,55,65-76,81-103,112-117,192-200,202H,19-30,35-54,56-64,148-149H2,1-18H3,(H2,150,203)(H2,151,204)(H2,152,205)(H2,153,206)(H2,154,212)(H,157,162)(H,159,213)(H,160,214)(H,161,234)(H,163,201)(H,164,207)(H,165,208)(H,166,225)(H,167,217)(H,168,221)(H,169,228)(H,170,233)(H,171,215)(H,172,216)(H,173,218)(H,174,226)(H,175,222)(H,176,229)(H,177,235)(H,178,236)(H,179,237)(H,180,223)(H,181,224)(H,182,231)(H,183,238)(H,184,209)(H,185,232)(H,186,227)(H,187,219)(H,188,220)(H,189,230)(H,210,211)(H4,155,156,158)/t72-,73-,74-,75-,76-,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,112+,113+,114+,115+,116+,117+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Calcitonin (salmon) Impurity A [EP IMPURITY]
Preferred Name English
Acetylcalcitonin (salmon)
Common Name English
Code System Code Type Description
FDA UNII
MHZ6S4CVV6
Created by admin on Wed Apr 02 20:33:15 GMT 2025 , Edited by admin on Wed Apr 02 20:33:15 GMT 2025
PRIMARY
CAS
1902197-00-5
Created by admin on Wed Apr 02 20:33:15 GMT 2025 , Edited by admin on Wed Apr 02 20:33:15 GMT 2025
PRIMARY