Peptide analogue

ID: ALA409776

Chembl Id: CHEMBL409776

PubChem CID: 44368046

Max Phase: Preclinical

Molecular Formula: C62H85N9O23

Molecular Weight: 1324.40

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)C2C[C@@H](O)CN2C(C)=O)C2CCCCC2)C(O)C(C)O1

Standard InChI:  InChI=1S/C62H85N9O23/c1-26(2)17-36(57(86)66-35-19-44(93-28(4)50(35)79)94-41-21-62(91,42(77)25-74)20-33-46(41)54(83)48-47(52(33)81)51(80)32-13-10-14-40(92-6)45(32)53(48)82)67-58(87)37(23-72)69-56(85)34(15-16-43(63)78)65-61(90)49(30-11-8-7-9-12-30)70-59(88)38(24-73)68-55(84)27(3)64-60(89)39-18-31(76)22-71(39)29(5)75/h10,13-14,26-28,30-31,34-39,41,44,49-50,72-74,76,79,81,83,91H,7-9,11-12,15-25H2,1-6H3,(H2,63,78)(H,64,89)(H,65,90)(H,66,86)(H,67,87)(H,68,84)(H,69,85)(H,70,88)/t27-,28?,31+,34-,35?,36-,37-,38-,39?,41-,44?,49-,50?,62-/m0/s1

Standard InChI Key:  GCFWZNYMSAWITM-WMHCONKMSA-N

Alternative Forms

1. Parent:

   

   ALA409776

   (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-2-cyclohexylacetyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1324.40

Molecular Weight (Monoisotopic): 1323.5758

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References

1. Freidinger RM..  (2003)  Design and synthesis of novel bioactive peptides and peptidomimetics.,  46  (26): [PMID:14667208] [10.1021/jm030484k]

Source

Source(1):

• Scientific Literature