MBJ-0173

AlkaPlorer ID: AK105541

Synonym: None

IUPAC Name: (2R)-2-[[(Z)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]but-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Structure

SMILES: C/C=C(\N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@@H](CC(C)C)N=C(O)[C@@H](CCCNC(=N)N)N=C(O)[C@@H](CC(C)C)N=C(C)O)C(O)=N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O

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InChI: InChI=1S/C44H62N10O8/c1-7-31(38(56)54-37(43(61)62)23-29-24-48-32-17-12-11-16-30(29)32)50-42(60)36(22-28-14-9-8-10-15-28)53-41(59)35(21-26(4)5)52-39(57)33(18-13-19-47-44(45)46)51-40(58)34(20-25(2)3)49-27(6)55/h7-12,14-17,24-26,33-37,48H,13,18-23H2,1-6H3,(H,49,55)(H,50,60)(H,51,58)(H,52,57)(H,53,59)(H,54,56)(H,61,62)(H4,45,46,47)/b31-7-/t33-,34-,35-,36+,37-/m1/s1

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InChIKey: FNLWZPVZZIMJBT-DILHQCOESA-N

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Source

Properties Information

Molecule Weight: 859.042

TPSA: 310.53000000000003

MolLogP: 6.898870000000006

Number of H-Donors: 11

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information