(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[2-[2-[[(2S)-4-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[2-[2-[[(2S)-4-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]acetyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]acetyl]amino]-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-valeric acid Formula: C47H76N14O15 MolecularWeight: 1077.19114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H76N14O15/c1-24(2)16-27(49)40(68)56-28(12-8-9-15-48)42(70)57-29(13-14-35(50)63)43(71)59-31(19-36(51)64)41(69)54-21-38(66)53-22-39(67)55-32(20-37(52)65)45(73)58-30(18-26-10-6-5-7-11-26)44(72)61-34(23-62)46(74)60-33(47(75)76)17-25(3)4/h5-7,10-11,24-25,27-34,62H,8-9,12-23,48-49H2,1-4H3,(H2,50,63)(H2,51,64)(H2,52,65)(H,53,66)(H,54,69)(H,55,67)(H,56,68)(H,57,70)(H,58,73)(H,59,71)(H,60,74)(H,61,72)(H,75,76)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1