(2S)-N-[5-[3-[4-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]butylamino]propanoylamino]pentyl]-2-[2-[2,4-bis(oxidanyl)phenyl]ethanoylamino]butanediamide

Systemtic Name: (2S)-N-[5-[3-[4-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]butylamino]propanoylamino]pentyl]-2-[2-[2,4-bis(oxidanyl)phenyl]ethanoylamino]butanediamide Openeye Name: (2S)-N-[5-[3-[4-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide CAS Name: (2S)-N-[5-[[3-[4-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]butylamino]-1-oxopropyl]amino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)-1-oxoethyl]amino]butanediamide IUPAC Name: (2S)-N-[5-[3-[4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide Traditional Name: (2S)-N-[5-[3-[4-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]succinamide Formula: C30H52N10O7 MolecularWeight: 664.79668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)O)CC(=O)NC(CC(=O)N)C(=O)NCCCCCNC(=O)CCNCCCCNC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

C1=CC(=C(C=C1O)O)CC(=O)N[C@@H](CC(=O)N)C(=O)NCCCCCNC(=O)CCNCCCCNC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C30H52N10O7/c31-22(7-6-15-39-30(33)34)28(46)37-14-5-4-11-35-16-10-26(44)36-12-2-1-3-13-38-29(47)23(19-25(32)43)40-27(45)17-20-8-9-21(41)18-24(20)42/h8-9,18,22-23,35,41-42H,1-7,10-17,19,31H2,(H2,32,43)(H,36,44)(H,37,46)(H,38,47)(H,40,45)(H4,33,34,39)/t22-,23-/m0/s1