Molecules/Nerofe

Nerofe

(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoic acid

C96H129N21O201897.20 g/molCID 91801207

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Molecular Identity

Nerofe

PubChem CID: 91801207

2D Structure

Properties

C₉₆H₁₂₉N₂₁O₂₀

Molecular Formula

1897.20

Molecular Weight

g/mol

1896.9756

Exact Mass

-1.2

XLogP

Drug-like (Lipinski: < 5)

666

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

4010

Complexity

SMILES

Canonical SMILES

SMILES: CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C3CCCN3C(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(C(C)O)NC(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)C(CC8=CNC9=CC=CC=C98)N

Isomeric SMILES

SMILES: C[C@H]([C@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@H](CC(C)C)C(=O)N3CCC[C@@H]3C(=O)N[C@H](CO)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)O)NC(=O)[C@@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@@H](CC8=CNC9=CC=CC=C98)N)O

Synonyms(9)

NerofeRefChem:9276701311294-45-7SR717JCM7MTcapfTrp-Trp-Thr-Phe-Phe-Leu-Pro-Ser-Thr-Leu-Trp-Glu-Arg-Lys, (all d)-Tumor-cells apoptosis factorWwtfflpstlwerk, (all d)-DB14786

Data from PubChem (NCBI)

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Molecular Structure

Nerofe

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Source: PubChem

Drug Network

Trials and conditions connected to Nerofe

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