 Home > Encyclopedia > (2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxybutanamide

(2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxybutanamide

(2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxybutanamide structure

CAS No:
122548-04-3
Formula:
C29H32BrN7O6
Chemical Name:
(2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxybutanamide
Synonyms:
L-Histidinamide,L-threonyl-3-hydroxy-L-tyrosyl-N-((1Z)-2-(6-bromo-1H-indol-3-yl)ethenyl); Threonyl-6,7-dihydroxyphenylalanyl-histidyl-6-bromo-8,9-didehydrotryptamine; Halocyamine B; L-Histidinamide,L-threonyl-3-hydroxy-L-tyrosyl-N-(2-(6-bromo-1H-indol-3-yl)ethenyl)-,(Z);

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(2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxybutanamide Basic Attributes

Molecular Weight：

654.51200

Exact Mass：

653.15974

Characteristics

PSA：

223.68000

XLogP3：

3.18770

Density：

1.591g/cm3

Boiling Point：

1012.9ºC

Flash Point：

566.4ºC

Refractive Index：

1.734

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH Entry Terms：

halocyamine B

Computed Properties

Molecular Weight:654.5
XLogP3:1.6
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:653.15974
Monoisotopic Mass:653.15974
Topological Polar Surface Area:224
Heavy Atom Count:43
Complexity:1010
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: pentanone; disodium pyrophosphate; acid name of hi; ammonium bromide; t-butyl chloride; 2 pentanone

Guide of (2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxybutanamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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