(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-5-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-5-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-oxo-butanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-keto-butanoyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butyric acid Formula: C44H72N14O15 MolecularWeight: 1037.12728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)O)N

InChI

InChI=1S/C44H72N14O15/c1-6-21(4)33(47)41(70)54-25(8-7-15-50-44(48)49)37(66)55-28(17-31(46)63)39(68)53-26(13-14-30(45)62)36(65)51-18-32(64)52-27(16-23-9-11-24(61)12-10-23)38(67)56-29(19-59)40(69)58-35(22(5)60)42(71)57-34(20(2)3)43(72)73/h9-12,20-22,25-29,33-35,59-61H,6-8,13-19,47H2,1-5H3,(H2,45,62)(H2,46,63)(H,51,65)(H,52,64)(H,53,68)(H,54,70)(H,55,66)(H,56,67)(H,57,71)(H,58,69)(H,72,73)(H4,48,49,50)/t21-,22+,25-,26-,27-,28-,29-,33-,34-,35-/m0/s1