Bilaid A

CAT: 0926-TVD86597-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-TVD86597-01Size:5 mg

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CAS Number

2393865-97-7

Smiles

C1=CC=C2C (=C1) C (=O) NC3=C (SC (=S) N23) C4=CC=C (C=C4) Cl

Molecular Formula

C28H38N4O5

Molecular Weight

510.6 g/mol

Controlled

Chemical Information

Bilaid A

Bilaid A is an oligopeptide.

CAS Number	2393865-97-7
PubChem CID	146682348
IUPAC Name	(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid
Molecular Formula	C28H38N4O5
Molecular Weight	510.6
XLogP	0
Topological Polar Surface Area	151
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Heavy Atom Count	37
Formal Charge	0
Complexity	760

SMILES

CC(C)[C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C28H38N4O5/c1-17(2)23(26(34)30-22(28(36)37)16-20-13-9-6-10-14-20)32-27(35)24(18(3)4)31-25(33)21(29)15-19-11-7-5-8-12-19/h5-14,17-18,21-24H,15-16,29H2,1-4H3,(H,30,34)(H,31,33)(H,32,35)(H,36,37)/t21-,22+,23-,24+/m0/s1

InChIKey

DEUGGGVTLCYZPU-UARRHKHWSA-N

Chemical Structure

2D Structure

CAS: 2393865-97-7

CID: 146682348

Formula: C28H38N4O5

MW: 510.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	510.6
XLogP3	0
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Exact Mass	510.28422033
Monoisotopic Mass	510.28422033
Topological Polar Surface Area	151 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	760
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TP3607-01	Bilaid A
GTR19144354-01	Bilaid B
462644	Bilaid B1
HY-P5941	Bilaid C1
HY-P4107	Bilaid C
TP3608-01	Bilaid A1e

Bilaid A

Chemical Information

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