(2S)-2-[2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)hexanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]ethanoylamino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]ethanoylamino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]ethanoylamin

Systemtic Name: (2S)-2-[2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)hexanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]ethanoylamino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]ethanoylamino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]ethanoylamin Openeye Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]hexanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(4-hydroxyphen CAS Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-1-oxopentyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-1-oxohexyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-1-oxopentyl]amino]-1-oxopentyl] IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(4-hydroxypheny Traditional Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-(glycylamino)hexanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]pentanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propi Formula: C93H167N27O22 MolecularWeight: 2015.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CCCC)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN)C(=O)NC(CCCC)C(=O)NCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCC)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCC)C(=O)NCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCC)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)CN

Isomeric SMILES

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

InChI

InChI=1S/C93H167N27O22/c1-7-13-26-59(79(127)103-54-76(124)107-63(32-19-45-94)83(131)115-67(34-21-47-96)87(135)110-61(28-15-9-3)81(129)105-56-78(126)109-73(93(141)142)52-57-39-41-58(121)42-40-57)111-88(136)68(35-22-48-97)118-91(139)71(38-25-51-100)117-85(133)65(30-17-11-5)114-90(138)70(37-24-50-99)116-84(132)64(33-20-46-95)108-77(125)55-104-80(128)60(27-14-8-2)112-89(137)69(36-23-49-98)119-92(140)72(43-44-74(102)122)120-86(134)66(31-18-12-6)113-82(130)62(29-16-10-4)106-75(123)53-101/h39-42,59-73,121H,7-38,43-56,94-101H2,1-6H3,(H2,102,122)(H,103,127)(H,104,128)(H,105,129)(H,106,123)(H,107,124)(H,108,125)(H,109,126)(H,110,135)(H,111,136)(H,112,137)(H,113,130)(H,114,138)(H,115,131)(H,116,132)(H,117,133)(H,118,139)(H,119,140)(H,120,134)(H,141,142)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1