Current position:Home >Product >

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

Systemtic Name:	(2S)-2-[[(2S,3S)-4-azanyl-2-[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-3-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoic acid
Openeye Name:	(2S)-2-[[(2S,3S)-4-amino-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-3-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-propanoic acid
CAS Name:	(2S)-2-[[(2S,3S)-4-amino-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-3-hydroxy-1,4-dioxobutyl]amino]-3-hydroxypropanoic acid
IUPAC Name:	(2S)-2-[[(2S,3S)-4-amino-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxy-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxy-4-oxobutanoyl]amino]-3-hydroxypropanoic acid
Traditional Name:	(2S)-2-[[(2S,3S)-4-amino-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-3-hydroxy-4-keto-butanoyl]amino]-3-hydroxy-propionic acid
Formula:	C₅₈H₉₉N₁₅O₁₇
MolecularWeight:	1278.49696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H99N15O17/c1-12-31(10)41(54(86)72-42(32(11)75)53(85)64-25-40(76)70-44(46(78)47(60)79)56(88)69-39(26-74)57(89)90)71-49(81)35(19-16-20-63-58(61)62)65-50(82)37(23-29(6)7)68-55(87)43(45(77)30(8)9)73-52(84)38(24-33-17-14-13-15-18-33)67-51(83)36(22-28(4)5)66-48(80)34(59)21-27(2)3/h13-15,17-18,27-32,34-39,41-46,74-75,77-78H,12,16,19-26,59H2,1-11H3,(H2,60,79)(H,64,85)(H,65,82)(H,66,80)(H,67,83)(H,68,87)(H,69,88)(H,70,76)(H,71,81)(H,72,86)(H,73,84)(H,89,90)(H4,61,62,63)/t31-,32-,34+,35+,36-,37-,38-,39-,41-,42-,43-,44-,45+,46-/m0/s1

Other Product