Molecule ID: 53477569

IUPAC Name: 5-[2-[[4-amino-2-[[5-(diaminomethylideneamino)-2-[[2-[2-[2-[4-(1H-indol-3-yl)butanoylamino]ethoxy]ethoxy]acetyl]amino]pentanoyl]amino]-4-oxobutanoyl]amino]ethylamino]naphthalene-1-sulfonic acid

Description: The molecule is a dipeptide derivative that consists of arginylaspartamide having a 2-[(5-sulfo-1-naphthyl)amino]ethyl group attached to the amide nitrogen at the carboxy terminus and a [2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]acetyl group attached to the amino terminus. It is a dipeptide, a member of indoles and an arenesulfonic acid.

SMILES: N=C(O)CC(N=C(O)C(CCCNC(=N)N)N=C(O)COCCOCCN=C(O)CCCc1c[nH]c2ccccc12)C(O)=NCCNc1cccc2c(S(=O)(=O)O)cccc12

SELFIES: [N][=C][Branch1][C][O][C][C][Branch2][Branch1][Ring1][N][=C][Branch1][C][O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][=C][Branch1][C][O][C][O][C][C][O][C][C][N][=C][Branch1][C][O][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][O][=N][C][C][N][C][=C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=C][Ring1][#Branch2]

InChI: InChI=1S/C40H54N10O10S/c41-35(51)23-33(38(54)46-18-17-44-31-12-4-10-29-28(31)9-5-14-34(29)61(56,57)58)50-39(55)32(13-6-16-47-40(42)43)49-37(53)25-60-22-21-59-20-19-45-36(52)15-3-7-26-24-48-30-11-2-1-8-27(26)30/h1-2,4-5,8-12,14,24,32-33,44,48H,3,6-7,13,15-23,25H2,(H2,41,51)(H,45,52)(H,46,54)(H,49,53)(H,50,55)(H4,42,43,47)(H,56,57,58)

Molecular Properties:
- Polar Surface Area: 333.0 Ų
- LogP: -0.6