2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-azanyl-2-[(1S)-3-azanyl-1-[[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]-5-methyl-pyrimidin-4-yl]carbonylamino]-4-methylsulfinyl-butanoyl]amino]-2-methyl-3-oxidanyl-5-phenyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethyl]-5-chloranyl-1,3-thiazol-4-yl]-N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-azanyl-2-[(1S)-3-azanyl-1-[[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]-5-methyl-pyrimidin-4-yl]carbonylamino]-4-methylsulfinyl-butanoyl]amino]-2-methyl-3-oxidanyl-5-phenyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethyl]-5-chloranyl-1,3-thiazol-4-yl]-N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-hydroxy-2-methyl-5-phenyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]ethyl]-5-chloro-thiazol-4-yl]-N-[3-[4-(3-aminopropylamino)butylamino]propyl]thiazole-4-carboxamide CAS Name: 2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-oxomethyl]amino]-4-methylsulfinyl-1-oxobutyl]amino]-3-hydroxy-2-methyl-1-oxo-5-phenylpentyl]amino]-3-hydroxy-1-oxobutyl]amino]ethyl]-5-chloro-4-thiazolyl]-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-thiazolecarboxamide IUPAC Name: 2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-4-methylsulfinylbutanoyl]amino]-3-hydroxy-2-methyl-5-phenylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-5-chloro-1,3-thiazol-4-yl]-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-keto-propyl]amino]-3-keto-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-hydroxy-2-methyl-5-phenyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]ethyl]-5-chloro-thiazol-4-yl]-N-[3-[4-(3-aminopropylamino)butylamino]propyl]thiazole-4-carboxamide Formula: C52H80ClN17O10S3 MolecularWeight: 1234.9475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(CCS(=O)C)C(=O)NC(CC2=CC=CC=C2)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC3=NC(=C(S3)Cl)C4=NC(=CS4)C(=O)NCCCNCCCCNCCCN)O

Isomeric SMILES

CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H](CCS(=O)C)C(=O)N[C@H](CC2=CC=CC=C2)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC3=NC(=C(S3)Cl)C4=NC(=CS4)C(=O)NCCCNCCCCNCCCN)O

InChI

InChI=1S/C52H80ClN17O10S3/c1-28-39(68-46(70-44(28)57)35(25-37(56)72)63-26-32(55)45(58)74)51(79)64-33(15-23-83(4)80)49(77)65-34(24-31-12-6-5-7-13-31)42(73)29(2)47(75)69-40(30(3)71)50(78)62-22-14-38-67-41(43(53)82-38)52-66-36(27-81-52)48(76)61-21-11-20-60-18-9-8-17-59-19-10-16-54/h5-7,12-13,27,29-30,32-35,40,42,59-60,63,71,73H,8-11,14-26,54-55H2,1-4H3,(H2,56,72)(H2,58,74)(H,61,76)(H,62,78)(H,64,79)(H,65,77)(H,69,75)(H2,57,68,70)/t29-,30+,32-,33-,34+,35-,40-,42-,83?/m0/s1