Butanamide, N,N'-(2,3-dihydroxy-1,4-bis((4-(phenylmethoxy)phenyl)methyl)-1,4-butanediyl)bis(2-(acetylamino)-3-methyl-, (1S-(1R(R),2S,3S,4R(R)))-

HCID 459882

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Basic information

CAS: 152020-34-3
Standard SMILES: CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)[C@@H](O)[C@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C
InChIKey: BHILNEINJAFWFO-FEHIJEOVSA-N
Molecular formula: C46H58N4O8
Average molar mass: 795 g/mol
Monoisotopic mass: 794.42546482

Names & identifiers

Preferred name: Butanamide, N,N'-(2,3-dihydroxy-1,4-bis((4-(phenylmethoxy)phenyl)methyl)-1,4-butanediyl)bis(2-(acetylamino)-3-methyl-, (1S-(1R*(R*),2S*,3S*,4R*(R*)))-
IUPAC: (2S)-2-acetamido-N-[(2S,3R,4R,5S)-5-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3,4-dihydroxy-1,6-bis(4-phenylmethoxyphenyl)hexan-2-yl]-3-methylbutanamide

Names & synonyms

(Ac-Val-BzlTyr-psi(CHOH)2152020-34-3Butanamide, N,N'-(2,3-dihydroxy-1,4-bis((4-(phenylmethoxy)phenyl)methyl)-1,4-butanediyl)bis(2-(acetylamino)-3-methyl-, (1S-(1R*(R*),2S*,3S*,4R*(R*)))-Butanamide, N,N'-[2,3-dihydroxy-1,4-bis[[4-(phenylmethoxy)phenyl]methyl]-1,4-butanediyl]bis[2-(acetylamino)-3-methyl-, [1S-[1R*(R*),2S*,3S*,4R*(R*)]]-DTXSID70164941[Ac-Val-BzlTyr-.psi.(CHOH]2(2S)-2-acetamido-N-[(1S,2R,3R,4S)-4-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-5-(4-benzyloxyphenyl)-1-[(4-benzyloxyphenyl)methyl]-2,3-dihydroxy-pentyl]-3-methyl-butanamide(2S,2'S)-N,N'-{(2S,3R,4R,5S)-1,6-Bis[4-(benzyloxy)phenyl]-3,4-dihydroxyhexane-2,5-diyl}bis(2-acetamido-3-methylbutanamide)

Database identifiers

CAS: 152020-34-3
PubChem CID: 459882
DTXSID: DTXSID70164941

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 175 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 8
Rotatable bonds: 21
Heavy atoms: 58
Formal charge: 0
Complexity: 1,140

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