Lypressin Acetate 10mg

CAT: 0628-A17987-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A17987-10Size:10 mg

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CAS Number

50-57-7

Chemical Information

Lypressin

(2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]-2-pyrrolidinecarboxamide is a cyclic peptide.

CAS Number	50-57-7
PubChem CID	644076
IUPAC Name	(2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular Formula	C46H65N13O12S2
Molecular Weight	1056.2
XLogP	-3.9
Topological Polar Surface Area	476
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	19
Heavy Atom Count	73
Formal Charge	0
Complexity	1960

SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N

InChI

InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1

InChIKey

BJFIDCADFRDPIO-DZCXQCEKSA-N

Chemical Structure

2D Structure

CAS: 50-57-7

CID: 644076

Formula: C46H65N13O12S2

MW: 1056.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1056.2
XLogP3	-3.9
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	19
Exact Mass	1055.43170691
Monoisotopic Mass	1055.43170691
Topological Polar Surface Area	476 Å²
Heavy Atom Count	73
Formal Charge	0
Complexity	1960
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Lypressin Acetate 10mg

Chemical Information

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