(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[[(2S)-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]amino]butanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[[(2S)-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]amino]butanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-methyl-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]propanoyl]amino]-5-oxo-pentanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-methyl-1-oxo-2-[[(2S)-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]propyl]amino]butyl]amino]-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-methyl-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-5-keto-2-[[(2S)-2-[[(2S)-3-methyl-2-[[(2S)-2-[[(2S)-prolyl]amino]propanoyl]amino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]acetyl]amino]-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-valeric acid Formula: C65H112N18O19 MolecularWeight: 1449.69398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C1CCCN1

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1

InChI

InChI=1S/C65H112N18O19/c1-29(2)25-43(61(97)71-34(11)52(88)70-28-49(87)76-40(18-21-46(66)84)59(95)80-44(26-30(3)4)62(98)81-45(65(101)102)27-31(5)6)79-60(96)42(20-23-48(68)86)78-54(90)36(13)75-64(100)51(33(9)10)83-56(92)38(15)73-58(94)41(19-22-47(67)85)77-53(89)35(12)74-63(99)50(32(7)8)82-55(91)37(14)72-57(93)39-17-16-24-69-39/h29-45,50-51,69H,16-28H2,1-15H3,(H2,66,84)(H2,67,85)(H2,68,86)(H,70,88)(H,71,97)(H,72,93)(H,73,94)(H,74,99)(H,75,100)(H,76,87)(H,77,89)(H,78,90)(H,79,96)(H,80,95)(H,81,98)(H,82,91)(H,83,92)(H,101,102)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,50-,51-/m0/s1